Ligand Id: 2144
Ligand name β-phenylethylamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 26.02
Molecular weight 121.09
XLogP 3.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
2-phenylethanamine
Synonyms
2-phenylethylamine
PEA
phenethylamine
Database Links
CAS Registry No. 156-28-5 (source: NCI), 64-04-0 (source: ChEBI)
ChEBI CHEBI:18397
ChEMBL Ligand 123056
Human Metabolome Database HMDB12275
PubChem CID 1001
Search Google for chemical match using the InChIKey BHHGXPLMPWCGHP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BHHGXPLMPWCGHP
Wikipedia Phenethylamine
ZINC ZINC12358728

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