1797
  -OEChem-10191521332D

 52 53  0     0  0  0  0  0  0999 V2000
    9.7942    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9384    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3385   -0.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6492    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9221   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6277    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.4852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6286    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0354    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5421   -0.9897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5311   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6483    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2415    0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5450    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5243    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 43  1  0  0  0  0
  3 22  1  0  0  0  0
  3 51  1  0  0  0  0
  3 52  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 19  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 22  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1797

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
285

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAzhngY+xvLJlACgAzRnRACCiCAxIiAI2aA+bJgMJuLEsZuGOCjk0BHI6Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-nonoxy-1H-indol-3-yl)ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-nonoxy-1H-indol-3-yl)ethanamine

> <PUBCHEM_IUPAC_NAME>
2-(5-nonoxy-1H-indol-3-yl)ethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-nonoxy-1H-indol-3-yl)ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-nonoxy-1H-indol-3-yl)ethylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YHSMSRREJYOGQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.5

> <PUBCHEM_EXACT_MASS>
302.235814

> <PUBCHEM_MOLECULAR_FORMULA>
C19H30N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
302.4543

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN

> <PUBCHEM_CACTVS_TPSA>
51

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.235814

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
12  17  8
13  18  8
14  20  8
16  17  8
16  21  8
2  14  8
2  18  8
20  21  8

$$$$