Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W0394470AX

Structure

InChI Key BJUHVJHOJBHLJS-UHFFFAOYSA-N
Smiles CCN1CCC(C1)=C(c2ccccc2)c3ccccc3
InChI
InChI=1S/C19H21N/c1-2-20-14-13-18(15-20)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N1
Molecular Weight 263.17
AlogP 4.21
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 5370-41-2
NORMAN SUSDAT
FDA SRS W0394470AX