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

Structure

InChI Key FHHHTAHASNMCCN-UHFFFAOYSA-N
Smiles C1CC(CCN1)(CNCc2ccccc2)Nc3ccccc3
InChI
InChI=1S/C19H25N3/c1-3-7-17(8-4-1)15-21-16-19(11-13-20-14-12-19)22-18-9-5-2-6-10-18/h1-10,20-22H,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25N3
Molecular Weight 295.2
AlogP 3.01
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 36.09
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 84176-78-3
NORMAN SUSDAT