Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0072140

Structure

InChI Key PFQFWWAQORECNJ-UHFFFAOYSA-N
Smiles CC(C)OCCc1ccccn1
InChI
InChI=1S/C10H15NO/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1O1
Molecular Weight 165.12
AlogP 2.05
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 22.12
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 70715-19-4
NORMAN SUSDAT
PubChem 116853
ChemSpider 104449.0