Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TBZ8909KFS

Structure

InChI Key CINROOONPHQHPO-UHFFFAOYSA-N
Smiles CN(C)CCC(c1ccccc1)c1ccc(C)cc1
InChI
InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N1
Molecular Weight 253.18
AlogP 4.08
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 3.24
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 5632-44-0
NORMAN SUSDAT
FDA SRS TBZ8909KFS
PubChem 72141
ChemSpider 65115.0