Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7071361

Structure

InChI Key RIZOSLSFFFSXDV-UHFFFAOYSA-N
Smiles CCN(CC)c1cc2c(Cc3c2cc(C)cc3C)cc1
InChI
InChI=1S/C19H23N/c1-5-20(6-2)16-8-7-15-11-17-14(4)9-13(3)10-19(17)18(15)12-16/h7-10,12H,5-6,11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N1
Molecular Weight 265.18
AlogP 4.72
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 68259-18-7
NORMAN SUSDAT
PubChem 109954
ChemSpider 95085.0