
 CHEMBL25984

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.9013   -0.2153    0.1677 C   0  0  0  0  0
    2.4169   -0.1082    0.0634 C   0  0  0  0  0
    2.8408    1.3186   -0.3190 C   0  0  0  0  0
    4.3078    1.4927   -0.3615 N   0  0  0  0  0
    4.8771    0.8488   -1.5649 C   0  0  0  0  0
    6.3701    0.5277   -1.4283 C   0  0  0  0  0
    6.8872   -0.1769   -2.6762 C   0  0  0  0  0
    4.7285    2.9243   -0.2370 C   0  0  0  0  0
    4.2129    3.8611   -1.3487 C   0  0  0  0  0
    4.3583    5.3152   -0.9964 C   0  0  0  0  0
    4.0974    6.2904   -1.9702 C   0  0  0  0  0
    4.2028    7.6463   -1.6607 C   0  0  0  0  0
    4.5737    8.0389   -0.3765 C   0  0  0  0  0
    4.8378    7.0749    0.5967 C   0  0  0  0  0
    4.7152    5.7191    0.2923 C   0  0  0  0  0
    4.9912    4.8403    1.3045 O   0  0  0  0  0
    4.3792    3.5538    1.1293 C   0  0  0  0  0
    0.6091   -1.2409    0.4134 H   0  0  0  0  0
    0.4242    0.0559   -0.7798 H   0  0  0  0  0
    0.5136    0.4455    0.9494 H   0  0  0  0  0
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    2.8647   -0.3876    1.0244 H   0  0  0  0  0
    2.4011    1.9773    0.4361 H   0  0  0  0  0
    2.3866    1.5941   -1.2787 H   0  0  0  0  0
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    4.3790   -0.1079   -1.7527 H   0  0  0  0  0
    6.5301   -0.1218   -0.5593 H   0  0  0  0  0
    6.9631    1.4341   -1.2742 H   0  0  0  0  0
    6.3185   -1.0903   -2.8792 H   0  0  0  0  0
    7.9385   -0.4529   -2.5500 H   0  0  0  0  0
    6.8094    0.4762   -3.5516 H   0  0  0  0  0
    5.8253    2.9581   -0.2787 H   0  0  0  0  0
    3.1496    3.6858   -1.5453 H   0  0  0  0  0
    4.7631    3.6658   -2.2769 H   0  0  0  0  0
    3.8085    5.9952   -2.9763 H   0  0  0  0  0
    3.9964    8.3957   -2.4204 H   0  0  0  0  0
    4.6558    9.0946   -0.1321 H   0  0  0  0  0
    5.1253    7.3806    1.5990 H   0  0  0  0  0
    4.7546    2.9158    1.9377 H   0  0  0  0  0
    3.3003    3.6708    1.2832 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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 17 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL25984

>  <PubChem CID>
10105405

>  <Formula>
C15H23NO

>  <Molecular Weight>
233.355000

>  <IUPAC Name>
N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC2=CC=CC=C2OC1

>  <Isomeric SMILES>
CCCN(CCC)C1CC2=CC=CC=C2OC1

>  <InChI Std. ID>
InChI=1S/C15H23NO/c1-3-9-16(10-4-2)14-11-13-7-5-6-8-15(13)17-12-14/h5-8,14H,3-4,9-12H2,1-2H3

>  <InChI Key>
AFJZCPCUPUMAIA-UHFFFAOYSA-N

