Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 372MWC170E

Structure

InChI Key SDJWUEKTZZQYLK-UHFFFAOYSA-N
Smiles CN1CCN(CC1)c2ccccc2Cc3ccccc3
InChI
InChI=1S/C18H22N2/c1-19-11-13-20(14-12-19)18-10-6-5-9-17(18)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N2
Molecular Weight 266.18
AlogP 3.03
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 131635-06-8
NORMAN SUSDAT
FDA SRS 372MWC170E