
 CHEMBL52438

 46 48  0  0  0  0  0  0  0  0999 V2000
    8.9768    3.3026   -2.2163 C   0  0  0  0  0
    9.3111    3.7968   -0.8193 C   0  0  0  0  0
    8.0718    4.0465    0.0559 C   0  0  0  0  0
    7.1586    2.9044    0.2880 N   0  0  0  0  0
    7.8806    1.7803    0.9200 C   0  0  0  0  0
    7.0848    0.4817    1.1261 C   0  0  0  0  0
    6.5519   -0.1072   -0.1720 C   0  0  0  0  0
    5.9089    3.2907    1.0312 C   0  0  0  0  0
    5.0337    4.3511    0.3268 C   0  0  0  0  0
    5.3834    5.7712    0.7099 C   0  0  0  0  0
    6.2010    5.9977    1.8282 C   0  0  0  0  0
    6.6779    7.2730    2.1091 C   0  0  0  0  0
    6.3237    8.3470    1.2976 C   0  0  0  0  0
    5.4530    8.1667    0.2157 C   0  0  0  0  0
    5.0875    9.2653   -0.5808 C   0  0  0  0  0
    4.2016    9.1151   -1.6457 C   0  0  0  0  0
    3.6697    7.8647   -1.9271 C   0  0  0  0  0
    4.0428    6.7587   -1.1584 C   0  0  0  0  0
    4.9484    6.8759   -0.0786 C   0  0  0  0  0
    6.6644    5.0139    2.6602 O   0  0  0  0  0
    6.0506    3.7358    2.4983 C   0  0  0  0  0
    9.8891    3.2470   -2.8190 H   0  0  0  0  0
    8.2830    3.9844   -2.7181 H   0  0  0  0  0
    8.5275    2.3059   -2.1913 H   0  0  0  0  0
    9.8517    4.7480   -0.9110 H   0  0  0  0  0
   10.0073    3.1067   -0.3315 H   0  0  0  0  0
    7.5268    4.8467   -0.4528 H   0  0  0  0  0
    8.4354    4.4408    1.0107 H   0  0  0  0  0
    8.3049    2.0910    1.8824 H   0  0  0  0  0
    8.7312    1.4996    0.2893 H   0  0  0  0  0
    6.2636    0.6276    1.8356 H   0  0  0  0  0
    7.7533   -0.2552    1.5887 H   0  0  0  0  0
    5.8175    0.5530   -0.6425 H   0  0  0  0  0
    6.0634   -1.0670    0.0247 H   0  0  0  0  0
    7.3642   -0.2830   -0.8847 H   0  0  0  0  0
    5.2844    2.3892    1.0275 H   0  0  0  0  0
    3.9844    4.1845    0.6070 H   0  0  0  0  0
    5.1054    4.2060   -0.7577 H   0  0  0  0  0
    7.3489    7.4270    2.9501 H   0  0  0  0  0
    6.7308    9.3292    1.5240 H   0  0  0  0  0
    5.4927   10.2533   -0.3736 H   0  0  0  0  0
    3.9251    9.9757   -2.2490 H   0  0  0  0  0
    2.9661    7.7431   -2.7465 H   0  0  0  0  0
    3.6009    5.7983   -1.4105 H   0  0  0  0  0
    6.6351    3.0126    3.0753 H   0  0  0  0  0
    5.0630    3.7689    2.9788 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  2  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
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 16 42  1  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
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 20 21  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL52438

>  <PubChem CID>
10265863

>  <Formula>
C19H25NO

>  <Molecular Weight>
283.415000

>  <IUPAC Name>
N,N-dipropyl-2,3-dihydro-1H-benzo[f]chromen-2-amine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC2=C(C=CC3=CC=CC=C23)OC1

>  <Isomeric SMILES>
CCCN(CCC)C1CC2=C(C=CC3=CC=CC=C23)OC1

>  <InChI Std. ID>
InChI=1S/C19H25NO/c1-3-11-20(12-4-2)16-13-18-17-8-6-5-7-15(17)9-10-19(18)21-14-16/h5-10,16H,3-4,11-14H2,1-2H3

>  <InChI Key>
DKPLHRMZPXJGSC-UHFFFAOYSA-N

