219120
  -OEChem-05142412492D

 46 47  0     1  0  0  0  0  0999 V2000
    2.3100    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8100    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3100    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1495   -0.5989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9177    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2274    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023    0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3926    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4177    2.3426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7274    1.9441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1760   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2023    1.1215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8926    1.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469    2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    3.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7130    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 16  1  0  0  0  0
 11 34  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  0  0  0  0
 13 18  2  0  0  0  0
 13 36  1  0  0  0  0
 14 19  2  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  2  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 18 43  1  0  0  0  0
 19 21  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
219120

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
261

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADGzBmAQyAIBAAgCAAiBCAAACAAAgAAAIiIAACIgKJiKAkRGAcAAk0AEImAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-1,1-diphenyl-heptan-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-1,1-diphenyl-1-heptanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-1,1-diphenylheptan-1-ol

> <PUBCHEM_IUPAC_NAME>
2-amino-1,1-diphenylheptan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-1,1-diphenyl-heptan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-1,1-diphenyl-heptan-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25NO/c1-2-3-6-15-18(20)19(21,16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18,21H,2-3,6,15,20H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZVRZJTRBWTVKOJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
283.193614421

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
283.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

> <PUBCHEM_CACTVS_TPSA>
46.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.193614421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  16  8
12  17  8
13  18  8
14  19  8
16  20  8
17  21  8
18  20  8
19  21  8
3  2  3
7  11  8
7  13  8
8  12  8
8  14  8

$$$$