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

Structure

InChI Key INTCGJHAECYOBW-APWZRJJASA-N
Smiles [Cl-].C[C@H](CN(C)C)[C@@](O)(Cc1ccccc1)c2ccccc2.[H+]
InChI
InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25N1O1
Molecular Weight 283.19
AlogP 3.31
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.47
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 63526-63-6
NORMAN SUSDAT