Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LK3LC8CT3L
EPA CompTox DTXSID3059501

Structure

InChI Key VIACAIAQHPLINF-UHFFFAOYSA-N
Smiles CCN(Cc1ccccc1)c1cccc(C)c1
InChI
InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N1
Molecular Weight 225.15
AlogP 4.02
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 119-94-8
NORMAN SUSDAT
FDA SRS LK3LC8CT3L
PubChem 67076
ChemSpider 60426.0