Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key SPXFNRMZPRHYRH-UHFFFAOYSA-N
Smiles Cl.N#CC1(C=2C=CC=CC2)CCN(CC=3C=CC=CC3)CC1
InChI
InChI=1/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20N2
Molecular Weight 312.14
AlogP 4.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 27.03
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 71258-18-9
NORMAN SUSDAT
PubChem 191408