
 SCHEMBL17056394

 40 41  0  0  0  0  0  0  0  0999 V2000
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    2.4613    0.1711   -0.0235 C   0  0  0  0  0
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    1.8866    2.5451   -0.5379 C   0  0  0  0  0
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    1.6724    6.3414   -1.1154 C   0  0  0  0  0
    4.3071    1.9180   -0.2406 C   0  0  0  0  0
    4.6314    2.4039    1.1789 C   0  0  0  0  0
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    4.5323    1.6085    1.9226 H   0  0  0  0  0
    3.9666    3.2170    1.4879 H   0  0  0  0  0
    5.6581    2.7831    1.2341 H   0  0  0  0  0
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    4.3901    0.9712   -2.7676 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17056394

>  <PubChem CID>
118349300

>  <Formula>
C18H19ClN2

>  <Molecular Weight>
298.814000

>  <IUPAC Name>
3-[(1R)-1-(4-chloro-N-ethyl-3-methylanilino)ethyl]benzonitrile

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(C1=CC(=C(C=C1)Cl)C)C(C)C2=CC=CC(=C2)C#N

>  <Isomeric SMILES>
CCN(C1=CC(=C(C=C1)Cl)C)[C@H](C)C2=CC=CC(=C2)C#N

>  <InChI Std. ID>
InChI=1S/C18H19ClN2/c1-4-21(17-8-9-18(19)13(2)10-17)14(3)16-7-5-6-15(11-16)12-20/h5-11,14H,4H2,1-3H3/t14-/m1/s1

>  <InChI Key>
AFBXBOSXYKOOOP-CQSZACIVSA-N

