Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20888180

Structure

InChI Key OKFCAIWJERUNHP-UHFFFAOYSA-N
Smiles O=C(OC)C=1C=CC=CC1N=CC(C)CC2CC3CCC2C3
InChI
InChI=1/C19H25NO2/c1-13(9-16-11-14-7-8-15(16)10-14)12-20-18-6-4-3-5-17(18)19(21)22-2/h3-6,12-16H,7-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25NO2
Molecular Weight 299.19
AlogP 4.64
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 38.66
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 72727-68-5
NORMAN SUSDAT
PubChem 175132