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

Structure

InChI Key TZWXPIKAEAYGPF-UHFFFAOYSA-N
Smiles NC1CC2CCC(C1)N2Cc1ccccc1
InChI
InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20N2
Molecular Weight 216.16
AlogP 2.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.26
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 96901-92-7
NORMAN SUSDAT
PubChem 12832103
ChemSpider 10675702.0