Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7N7IQB45VO
EPA CompTox DTXSID40869279

Structure

InChI Key SGMXCAKSGHLWBE-UHFFFAOYSA-N
Smiles CN1CCC2=C(CC1)c3ccccc3N(C)c4ccccc24
InChI
InChI=1S/C20H22N2/c1-21-13-11-15-16(12-14-21)18-8-4-6-10-20(18)22(2)19-9-5-3-7-17(15)19/h3-10H,11-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2
Molecular Weight 290.18
AlogP 4.4
Hydrogen Bond Acceptor 2.0
Polar Surface Area 6.48
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 96645-87-3
NORMAN SUSDAT
FDA SRS 7N7IQB45VO