p-chloroamphetamine   Click here for help

GtoPdb Ligand ID: 4592

Synonyms: para-chloroamphetamine
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 26.02
Molecular weight 169.07
XLogP 2.38
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(Cc1ccc(cc1)Cl)N
Isomeric SMILES CC(Cc1ccc(cc1)Cl)N
InChI InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChI Key WWPITPSIWMXDPE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(4-chlorophenyl)propan-2-amine
Synonyms Click here for help
para-chloroamphetamine
Database Links Click here for help
CAS Registry No. 64-12-0 (source: Scifinder)
ChEMBL Ligand CHEMBL358967
GtoPdb PubChem SID 178101313
PubChem CID 3127
Search Google for chemical match using the InChIKey WWPITPSIWMXDPE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WWPITPSIWMXDPE
Search UniChem for chemical match using the InChIKey WWPITPSIWMXDPE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WWPITPSIWMXDPE
Wikipedia P-chloroamphetamine