Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90191653

Structure

InChI Key FFAJEKUNEVVYCW-UHFFFAOYSA-N
Smiles CCN(CCOC)c1ccc(N)c(C)c1
InChI
InChI=1S/C12H20N2O/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11/h5-6,9H,4,7-8,13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2O1
Molecular Weight 208.16
AlogP 2.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.49
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 38264-80-1
NORMAN SUSDAT
PubChem 94541
ChemSpider 85315.0