Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4VXK3E458E
EPA CompTox DTXSID10209961

Structure

InChI Key WTOYUGZUPNQZHG-UHFFFAOYSA-N
Smiles OCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
InChI
InChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O1
Molecular Weight 296.19
AlogP 3.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 35.5
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 61086-04-2
NORMAN SUSDAT
FDA SRS 4VXK3E458E
PubChem 3017230
ChemSpider 2285004.0