151182
  -OEChem-04262423162D

 46 47  0     0  0  0  0  0  0999 V2000
    2.8660   -0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3133    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7960    0.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9490    2.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7004    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1072    0.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8886    2.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4919    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7100    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1950    0.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0706    0.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1180    1.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2423    2.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456    3.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636    3.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2360    2.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7571    1.7158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    1.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139   -1.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -3.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 40  1  0  0  0  0
  4  7  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 16 41  1  0  0  0  0
 17 19  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
151182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
285

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADCzBngY+xvPJlACgAzRnRACCiCAxIiAI2aA+bJgMJuLEsZuEMChk0BHI6Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-isopropyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-yl-2-propanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(5-methoxy-1<I>H</I>-indol-3-yl)ethyl]-<I>N</I>-propan-2-ylpropan-2-amine

> <PUBCHEM_IUPAC_NAME>
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-yl-propan-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diisopropyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)9-8-14-11-18-17-7-6-15(20-5)10-16(14)17/h6-7,10-13,18H,8-9H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
DNBPMBJFRRVTSJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.1

> <PUBCHEM_EXACT_MASS>
274.204513457

> <PUBCHEM_MOLECULAR_FORMULA>
C17H26N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
274.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C

> <PUBCHEM_CACTVS_TPSA>
28.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.204513457

> <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>
13  14  8
13  16  8
14  17  8
16  18  8
17  19  8
18  19  8
3  14  8
3  15  8
8  13  8
8  15  8

$$$$