Phyto4Health

Phenethylamine

Representations & DB's id

ChEBI: CHEBI:18397
ChEMBL: CHEMBL610
PubChem: 1001
IUPAC: 2-phenylethanamine
Standard InChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
Standard InChI Key: BHHGXPLMPWCGHP-UHFFFAOYSA-N
SMILES: NCCc1ccccc1

Molecular propeties

AlogP: 1.19
Hydrogen bonds acceptors: 1
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 1
Molecular Weight: 121.09
Topological polar surface area: 26
Number of aromatic rings: 1
Fsp3: 0.25
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC504410 nMCytochrome P450 2A6P11509
Others21 %Amine oxidase, copper containingQ16853
EC50129 nMTrace amine-associated receptor 1Q96RJ0
Potency14125.4 nMSurvival motor neuron proteinQ16637
EC50106 nMTrace amine-associated receptor 1Q96RJ0
EC50110 nMTrace amine-associated receptor 1Q96RJ0