
 CHEMBL413777

 57 59  0  0  0  0  0  0  0  0999 V2000
    7.9119   -4.3847   -0.1892 C   0  0  0  0  0
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    6.8869   -4.3083    2.3724 H   0  0  0  0  0
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    8.4827   -1.9930   -2.3673 H   0  0  0  0  0
    7.3675   -1.0305   -4.3645 H   0  0  0  0  0
    5.1566    0.0714   -4.1308 H   0  0  0  0  0
    4.0630    0.2135   -1.9471 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL413777

>  <PubChem CID>
16109485

>  <Formula>
C23H31NO2

>  <Molecular Weight>
353.506000

>  <IUPAC Name>
N-[(3-cyclopentylphenyl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3CCCC3

>  <Isomeric SMILES>
CC(C)OC1=CC=CC=C1OCCNCC2=CC=CC(=C2)C3CCCC3

>  <InChI Std. ID>
InChI=1S/C23H31NO2/c1-18(2)26-23-13-6-5-12-22(23)25-15-14-24-17-19-8-7-11-21(16-19)20-9-3-4-10-20/h5-8,11-13,16,18,20,24H,3-4,9-10,14-15,17H2,1-2H3

>  <InChI Key>
ACEXCRCRDMOWEM-UHFFFAOYSA-N

