Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0WXW37WI6J
EPA CompTox DTXSID80170098

Structure

InChI Key CTTXVHBXEKXREE-UHFFFAOYSA-N
Smiles CN(C)C1(CCN(Cc2ccccc2)CC1)C(=O)N
InChI
InChI=1S/C15H23N3O/c1-17(2)15(14(16)19)8-10-18(11-9-15)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H2,16,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3O1
Molecular Weight 261.18
AlogP 2.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 50.56
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 1762-51-2
NORMAN SUSDAT
FDA SRS 0WXW37WI6J
PubChem 74481
ChemSpider 67066.0