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

Structure

InChI Key YFFIQHDMUUCCJP-LDADJPATSA-N
Smiles CN(C)CCC=C1/c2ccccc2CN(C)c3ccccc13
InChI
InChI=1S/C20H24N2/c1-21(2)14-8-12-18-17-10-5-4-9-16(17)15-22(3)20-13-7-6-11-19(18)20/h4-7,9-13H,8,14-15H2,1-3H3/b18-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2
Molecular Weight 292.19
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 1232-85-5
NORMAN SUSDAT