Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60166393

Structure

InChI Key VUENIEFVRKDJAS-UHFFFAOYSA-N
Smiles CN(C)Cc1cccc(CN(C)C)c1O
InChI
InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-11(12(10)15)9-14(3)4/h5-7,15H,8-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2O1
Molecular Weight 208.16
AlogP 1.52
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 26.71
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 15827-34-6
NORMAN SUSDAT
PubChem 85127
ChemSpider 76776.0