
 CHEMBL142688

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.5840   -0.4321    0.7700 C   0  0  0  0  0
    2.3397    0.3062   -0.1785 O   0  0  0  0  0
    2.7318    1.5784    0.1574 C   0  0  0  0  0
    2.1747    2.4260    1.1465 C   0  0  0  0  0
    2.7143    3.7074    1.3451 C   0  0  0  0  0
    3.7394    4.1427    0.5227 C   0  0  0  0  0
    4.4308    5.4714    0.5445 C   0  0  0  0  0
    5.0509    5.4973   -0.8805 C   0  0  0  0  0
    5.3878    4.0116   -1.1994 C   0  0  0  0  0
    4.2740    3.3184   -0.4667 C   0  0  0  0  0
    3.7853    2.0386   -0.6525 C   0  0  0  0  0
    6.1189    6.4911   -1.1493 N   0  0  0  0  0
    5.6016    7.8729   -1.0912 C   0  0  0  0  0
    4.5355    8.1125   -2.1268 C   0  0  0  0  0
    3.0849    8.2507   -1.7270 C   0  0  0  0  0
    3.8450    9.4516   -2.2094 C   0  0  0  0  0
    7.2761    6.3175   -0.2548 C   0  0  0  0  0
    8.4224    7.2233   -0.6082 C   0  0  0  0  0
    8.7542    8.4128    0.2634 C   0  0  0  0  0
    9.6656    7.2202    0.2489 C   0  0  0  0  0
    1.1247    1.9620    1.8977 O   0  0  0  0  0
    0.2523    2.9436    2.4482 C   0  0  0  0  0
    1.5757   -1.4761    0.4419 H   0  0  0  0  0
    0.5434   -0.0956    0.7890 H   0  0  0  0  0
    2.0425   -0.4074    1.7638 H   0  0  0  0  0
    2.3488    4.3724    2.1188 H   0  0  0  0  0
    5.1789    5.4667    1.3419 H   0  0  0  0  0
    3.7293    6.2962    0.6950 H   0  0  0  0  0
    4.2247    5.7167   -1.5741 H   0  0  0  0  0
    5.3574    3.8205   -2.2766 H   0  0  0  0  0
    6.3458    3.6821   -0.7889 H   0  0  0  0  0
    4.2014    1.3928   -1.4206 H   0  0  0  0  0
    6.4021    8.5813   -1.3312 H   0  0  0  0  0
    5.2435    8.1235   -0.0849 H   0  0  0  0  0
    4.7725    7.6412   -3.0753 H   0  0  0  0  0
    2.8228    8.2112   -0.6764 H   0  0  0  0  0
    2.3393    7.8170   -2.3833 H   0  0  0  0  0
    3.6067    9.8366   -3.1953 H   0  0  0  0  0
    4.1056   10.2160   -1.4866 H   0  0  0  0  0
    7.6611    5.2967   -0.3418 H   0  0  0  0  0
    6.9981    6.4711    0.7940 H   0  0  0  0  0
    8.5780    7.2986   -1.6789 H   0  0  0  0  0
    8.1652    8.5868    1.1578 H   0  0  0  0  0
    9.0930    9.3205   -0.2235 H   0  0  0  0  0
   10.6236    7.3218   -0.2485 H   0  0  0  0  0
    9.6891    6.5846    1.1266 H   0  0  0  0  0
   -0.6616    2.4350    2.7686 H   0  0  0  0  0
   -0.0307    3.6986    1.7063 H   0  0  0  0  0
    0.7012    3.4077    3.3320 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 11 32  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
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 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
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 21 22  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL142688

>  <PubChem CID>
11023020

>  <Formula>
C19H27NO2

>  <Molecular Weight>
301.430000

>  <IUPAC Name>
N,N-bis(cyclopropylmethyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C2CC(CC2=C1)N(CC3CC3)CC4CC4)OC

>  <Isomeric SMILES>
COC1=C(C=C2CC(CC2=C1)N(CC3CC3)CC4CC4)OC

>  <InChI Std. ID>
InChI=1S/C19H27NO2/c1-21-18-9-15-7-17(8-16(15)10-19(18)22-2)20(11-13-3-4-13)12-14-5-6-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3

>  <InChI Key>
DCIBMFFSEUHHNB-UHFFFAOYSA-N

