Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U3X5WZ87GP
EPA CompTox DTXSID50158863

Structure

InChI Key RUHVDRGWCIAFLG-UHFFFAOYSA-N
Smiles CN(C)CCOc1ccccc1
InChI
InChI=1S/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 1.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 12.47
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13468-02-5
NORMAN SUSDAT
FDA SRS U3X5WZ87GP
PubChem 26050
ChemSpider 24264.0