
 CHEMBL417766

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL417766

>  <PubChem CID>
44299898

>  <Formula>
C28H33NO

>  <Molecular Weight>
399.578000

>  <IUPAC Name>
N-(cyclopropylmethyl)-3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-amine

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=CC(=C1)COCC(C(C2=CC=CC=C2)C3=CC=CC=C3)NCC4CC4)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)COCC(C(C2=CC=CC=C2)C3=CC=CC=C3)NCC4CC4)C

>  <InChI Std. ID>
InChI=1S/C28H33NO/c1-21-15-22(2)17-24(16-21)19-30-20-27(29-18-23-13-14-23)28(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-12,15-17,23,27-29H,13-14,18-20H2,1-2H3

>  <InChI Key>
ACHPJPBOPKYSRD-UHFFFAOYSA-N

