Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5HAF6QO904
EPA CompTox DTXSID50866299

Structure

InChI Key QQGGXAOUSKREAE-UHFFFAOYSA-N
Smiles CCN(CC)CCCN(C1Cc2ccccc2C1OC)c3ccccc3
InChI
InChI=1/C23H32N2O/c1-4-24(5-2)16-11-17-25(20-13-7-6-8-14-20)22-18-19-12-9-10-15-21(19)23(22)26-3/h6-10,12-15,22-23H,4-5,11,16-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32N2O
Molecular Weight 352.25
AlogP 4.54
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 15.71
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 53076-26-9
NORMAN SUSDAT
FDA SRS 5HAF6QO904