Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XY6PL2XZT2
EPA CompTox DTXSID50222694

Structure

InChI Key WIQQTANXCCVPOY-UHFFFAOYSA-N
Smiles CCN(CC)CCn1ccc2c1cccc2
InChI
InChI=1S/C14H20N2/c1-3-15(4-2)11-12-16-10-9-13-7-5-6-8-14(13)16/h5-10H,3-4,11-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N2
Molecular Weight 216.16
AlogP 2.98
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 8.17
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 72395-46-1
NORMAN SUSDAT
FDA SRS XY6PL2XZT2
PubChem 51575
ChemSpider 46711.0