Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0027771

Structure

InChI Key JQTYAZKTBXWQOM-UHFFFAOYNA-N
Smiles CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1
InChI
InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2
Molecular Weight 296.23
AlogP 6.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 24.06
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 15233-47-3
NORMAN SUSDAT
ChemSpider 77410.0