
 CHEMBL554945

 62 64  0  0  0  0  0  0  0  0999 V2000
    1.2175    0.0300   -0.0801 C   0  0  0  0  0
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    4.6164    1.4716    0.7531 C   0  0  0  0  0
    4.9875    2.9062    1.2116 C   0  0  0  0  0
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    4.4248    4.7823    2.8369 C   0  0  0  0  0
    3.4321    5.7625    2.6515 C   0  0  0  0  0
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    6.4236    2.9735    1.5372 N   0  0  0  0  0
    7.2219    3.6958    0.5363 C   0  0  0  0  0
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   10.5825    4.8271    2.0165 C   0  0  0  0  0
    9.2292    4.8135    1.6815 C   0  0  0  0  0
    0.7204    3.7284   -1.9177 Cl  0  0  0  0  0
    0.9392    0.6416   -0.9639 H   0  0  0  0  0
    0.7289    0.4575    0.8216 H   0  0  0  0  0
    0.8409   -1.0058   -0.2235 H   0  0  0  0  0
    2.9127   -0.5812    1.0250 H   0  0  0  0  0
    3.3100    1.2070   -2.2906 H   0  0  0  0  0
    4.3348    0.2762   -4.2868 H   0  0  0  0  0
    5.0038   -2.0802   -4.3843 H   0  0  0  0  0
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    4.7599   -5.7874   -1.4679 H   0  0  0  0  0
    3.7353   -4.9364    0.6095 H   0  0  0  0  0
    3.0982   -2.6132    0.8229 H   0  0  0  0  0
    2.9566    2.0623   -0.3542 H   0  0  0  0  0
    4.8434    0.7560    1.5750 H   0  0  0  0  0
    5.2392    1.2059   -0.1295 H   0  0  0  0  0
    4.7334    3.6089    0.3830 H   0  0  0  0  0
    4.3401    2.6752    3.3110 H   0  0  0  0  0
    3.0812    3.2439    2.1714 H   0  0  0  0  0
    2.4709    5.4981    2.2287 H   0  0  0  0  0
    2.9167    7.8454    2.8438 H   0  0  0  0  0
    5.1078    8.4919    3.8030 H   0  0  0  0  0
    6.8580    6.7763    4.1644 H   0  0  0  0  0
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    6.8070    2.0131    1.6969 H   0  0  0  0  0
    6.8437    4.7398    0.4504 H   0  0  0  0  0
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   10.9776    5.6376    2.6147 H   0  0  0  0  0
    8.6168    5.6297    2.0327 H   0  0  0  0  0
    0.1437    3.5017   -3.1462 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  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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  6  7  1  0  0  0
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  9 10  2  0  0  0
  9 40  1  0  0  0
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 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL554945

>  <PubChem CID>
45261607

>  <Formula>
C28H31ClN2

>  <Molecular Weight>
431.020000

>  <IUPAC Name>
2-N-benzyl-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=C4.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NCC4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C28H30N2.ClH/c1-22(27-18-10-16-25-15-8-9-17-28(25)27)29-21-26(19-23-11-4-2-5-12-23)30-20-24-13-6-3-7-14-24;/h2-18,22,26,29-30H,19-21H2,1H3;1H

>  <InChI Key>
SPLNUDKKMKOBAS-UHFFFAOYSA-N

