
 CHEMBL541075

 62 64  0  0  0  0  0  0  0  0999 V2000
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    4.5382    0.9128   -0.1095 H   0  0  0  0  0
    4.1821    0.9125    1.6612 H   0  0  0  0  0
    4.4141    3.4087   -0.1521 H   0  0  0  0  0
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    2.0585    0.8518    3.7294 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 13  1  0  0  0
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  3  4  2  0  0  0
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  5  6  2  0  0  0
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  9 41  1  0  0  0
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 32 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL541075

>  <PubChem CID>
45264915

>  <Formula>
C28H30Cl2N2

>  <Molecular Weight>
465.462000

>  <IUPAC Name>
2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC=CC=C4Cl.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC=CC=C4Cl.Cl

>  <InChI Std. ID>
InChI=1S/C28H29ClN2.ClH/c1-21(26-16-9-14-23-12-5-7-15-27(23)26)30-20-25(18-22-10-3-2-4-11-22)31-19-24-13-6-8-17-28(24)29;/h2-17,21,25,30-31H,18-20H2,1H3;1H

>  <InChI Key>
KMTVTOSPZHMOMO-UHFFFAOYSA-N

