Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6Z47B07H2H

Structure

InChI Key SVKVWRTVTPUQBY-UHFFFAOYSA-N
Smiles [H+].[Cl-].CC1C2Cc3ccccc3C1(C)CCN2CC4CC4
InChI
InChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25N1
Molecular Weight 255.2
AlogP 3.62
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 15686-68-7
NORMAN SUSDAT
FDA SRS 6Z47B07H2H