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

Structure

InChI Key MHFBISFDLRWTLQ-UHFFFAOYSA-N
Smiles N#CC(C=1C=CC=CC1)C2CCN(CC=3C=CC=CC3)CC2
InChI
InChI=1/C20H22N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-14,16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N2
Molecular Weight 290.18
AlogP 4.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 27.03
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 7254-21-9
NORMAN SUSDAT
PubChem 98062