Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1M2IB31DTS

Structure

InChI Key UVITTYOJFDLOGI-KEYYUXOJSA-N
Smiles O=C(OC1(C=2C=CC=CC2)CC(N(C)CC1C)C)CC
InChI
InChI=1/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25NO2
Molecular Weight 275.19
AlogP 3.2
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 64-39-1
NORMAN SUSDAT
FDA SRS 1M2IB31DTS
PubChem 20055107