BIS-[4-(1-PHENYL-ETHYL)-PHENYL]-AMINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20891871

Structure

InChI Key BRWSDEFCJGIRLV-UHFFFAOYSA-N
Smiles CC(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)C4=CC=CC=C4
InChI
InChI=1S/C28H27N/c1-21(23-9-5-3-6-10-23)25-13-17-27(18-14-25)29-28-19-15-26(16-20-28)22(2)24-11-7-4-8-12-24/h3-22,29H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27N1
Molecular Weight 377.21
AlogP 7.73
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 12.03
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 60160-25-0
NORMAN SUSDAT
PubChem 108418
ChemSpider 11003.0
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