Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TYG45UE07V

Structure

InChI Key AMYOGBYNKSSTIB-UHFFFAOYSA-N
Smiles CN1CCC(CC2CC(c3ccccc3)c4ccccc24)C1
InChI
InChI=1S/C21H25N/c1-22-12-11-16(15-22)13-18-14-21(17-7-3-2-4-8-17)20-10-6-5-9-19(18)20/h2-10,16,18,21H,11-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N1
Molecular Weight 291.2
AlogP 4.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 7009-69-0
NORMAN SUSDAT
FDA SRS TYG45UE07V