Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UFM5PPW7L2
EPA CompTox DTXSID40181620

Structure

InChI Key JBSYDIKKOAPATG-UHFFFAOYSA-N
Smiles COc1ccc(cc1)N(C)c1ccc(OC)cc1
InChI
InChI=1S/C15H17NO2/c1-16(12-4-8-14(17-2)9-5-12)13-6-10-15(18-3)11-7-13/h4-11H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H17N1O2
Molecular Weight 243.13
AlogP 3.47
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 21.7
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 27151-57-1
NORMAN SUSDAT
FDA SRS UFM5PPW7L2
PubChem 520290
ChemSpider 453834.0