5626
  -OEChem-05152403512D

 47 48  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105   -0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202   -0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202    0.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105    0.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379   -2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648   -1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6648    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4379    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5910    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5626

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
258

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHgAAAAAADCzBmAYyBoMABACAAiBCAAACCAAgIAAAiAAOiIgNJiKEsRuEMCIkwBGKqAeQ0LMOoAABAAAQQABAAAIAACCAACAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dimethoxy-N,N-dipropyl-indan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-dimethoxy-<I>N</I>,<I>N</I>-dipropyl-2,3-dihydro-1<I>H</I>-inden-2-amine

> <PUBCHEM_IUPAC_NAME>
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5,6-dimethoxyindan-2-yl)-dipropyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
UOLJKAPABHXFRE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
277.204179104

> <PUBCHEM_MOLECULAR_FORMULA>
C17H27NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
277.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC

> <PUBCHEM_CACTVS_TPSA>
21.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.204179104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  15  8
12  16  8
15  16  8
7  11  8
7  8  8
8  12  8

$$$$