Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID80199249

Structure

InChI Key WAIXCVQVKNMSPB-UHFFFAOYSA-N
Smiles Cl.O=C1N(C2=CC(Cl)=CC=C2OC1)CCN(CC)CC
InChI
InChI=1/C14H19ClN2O2.ClH/c1-3-16(4-2)7-8-17-12-9-11(15)5-6-13(12)19-10-14(17)18;/h5-6,9H,3-4,7-8,10H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19ClN2O2
Molecular Weight 318.09
AlogP 2.83
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 32.78
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 51244-42-9
NORMAN SUSDAT
PubChem 6452381