131575
  -OEChem-05052422522D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -1.0523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    0.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    0.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
131575

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
183

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHgAQAAAADCzBmAYyBoBABACAAiBCAAACCAAgIAAAiIAGCIgMJiKEsRuAMCAk0BEIqAeQ0PEO4AADAAAYAADAAAYAADAAACAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methoxy-6-methyl-indan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-methoxy-6-methyl-2,3-dihydro-1<I>H</I>-inden-2-amine

> <PUBCHEM_IUPAC_NAME>
5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methoxy-6-methyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-methoxy-6-methyl-indan-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H15NO/c1-7-3-8-4-10(12)5-9(8)6-11(7)13-2/h3,6,10H,4-5,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JLESVLCTIOAHPT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
177.115364102

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15NO

> <PUBCHEM_MOLECULAR_WEIGHT>
177.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(CC(C2)N)C=C1OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(CC(C2)N)C=C1OC

> <PUBCHEM_CACTVS_TPSA>
35.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
177.115364102

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
10  11  8
3  2  3
6  7  8
6  8  8
7  9  8
8  10  8
9  11  8

$$$$