Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII SKB6N9F5HQ
EPA CompTox DTXSID60232789

Structure

InChI Key JGTVXUARRNPJEE-UHFFFAOYSA-N
Smiles Cl.OC1(C2=CC=C(C=C2)C)CCN(CC=3C=CC=CC3)CC1
InChI
InChI=1/C19H23NO.ClH/c1-16-7-9-18(10-8-16)19(21)11-13-20(14-12-19)15-17-5-3-2-4-6-17;/h2-10,21H,11-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO
Molecular Weight 317.15
AlogP 3.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 23.47
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 83898-26-4
NORMAN SUSDAT
FDA SRS SKB6N9F5HQ
PubChem 198607