Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L2H26JSV0I
EPA CompTox DTXSID00866128

Structure

InChI Key VXCSCOXOGWUYKK-UHFFFAOYSA-N
Smiles CN(C)CCCN1Cc2ccccc2C(=C)c3ccccc13
InChI
InChI=1S/C20H24N2/c1-16-18-10-5-4-9-17(18)15-22(14-8-13-21(2)3)20-12-7-6-11-19(16)20/h4-7,9-12H,1,8,13-15H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2
Molecular Weight 292.19
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 47206-15-5
NORMAN SUSDAT
FDA SRS L2H26JSV0I