Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KZX9T33K7F
EPA CompTox DTXSID90193713

Structure

InChI Key OMHOXRVODFQGCA-UHFFFAOYSA-N
Smiles Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N
InChI
InChI=1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N2
Molecular Weight 254.18
AlogP 3.68
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.04
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 4073-98-7
NORMAN SUSDAT
FDA SRS KZX9T33K7F
PubChem 77690
ChemSpider 70091.0