
 CHEMBL422471

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.3502   -1.1993    0.2137 C   0  0  0  0  0
    2.6996   -0.0269   -0.3759 N   0  0  0  0  0
    1.2514   -0.1095   -0.1623 C   0  0  0  0  0
    3.2167    1.2362    0.1978 C   0  0  0  0  0
    4.6993    1.5385   -0.1321 C   0  0  0  0  0
    5.1271    2.8312    0.4258 N   0  0  0  0  0
    4.4128    4.0517   -0.0097 C   0  0  0  0  0
    5.3577    5.2464    0.1896 C   0  0  0  0  0
    6.6742    4.5568    0.0958 C   0  0  0  0  0
    7.9287    5.1218   -0.0672 C   0  0  0  0  0
    9.0331    4.2722   -0.0926 C   0  0  0  0  0
    8.8653    2.8889    0.0605 C   0  0  0  0  0
    7.5902    2.3382    0.2354 C   0  0  0  0  0
    6.4867    3.1773    0.2409 C   0  0  0  0  0
    4.4110   -1.2369   -0.0514 H   0  0  0  0  0
    2.9106   -2.1226   -0.1809 H   0  0  0  0  0
    3.2603   -1.2173    1.3055 H   0  0  0  0  0
    0.8456   -1.0201   -0.6173 H   0  0  0  0  0
    0.7413    0.7319   -0.6447 H   0  0  0  0  0
    0.9895   -0.1087    0.9022 H   0  0  0  0  0
    3.0747    1.2545    1.2861 H   0  0  0  0  0
    2.6139    2.0577   -0.2080 H   0  0  0  0  0
    4.8468    1.5280   -1.2202 H   0  0  0  0  0
    5.3155    0.7435    0.3006 H   0  0  0  0  0
    3.4875    4.1901    0.5610 H   0  0  0  0  0
    4.1431    3.9689   -1.0716 H   0  0  0  0  0
    5.2334    5.6895    1.1830 H   0  0  0  0  0
    5.2138    6.0059   -0.5833 H   0  0  0  0  0
    8.0519    6.1947   -0.1696 H   0  0  0  0  0
   10.0310    4.6836   -0.2211 H   0  0  0  0  0
    9.7355    2.2374    0.0533 H   0  0  0  0  0
    7.4877    1.2679    0.3768 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL422471

>  <PubChem CID>
744368

>  <Formula>
C12H18N2

>  <Molecular Weight>
190.290000

>  <IUPAC Name>
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCN1CCC2=CC=CC=C21

>  <Isomeric SMILES>
CN(C)CCN1CCC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C12H18N2/c1-13(2)9-10-14-8-7-11-5-3-4-6-12(11)14/h3-6H,7-10H2,1-2H3

>  <InChI Key>
BNAWSOWKSSIPGW-UHFFFAOYSA-N

