2-pyridylethylamine   Click here for help

GtoPdb Ligand ID: 1197

Abbreviated name: PEA
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 2-pyridylethylamine (dihydrochloride) is a histamine H1 receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 38.91
Molecular weight 122.08
XLogP 0.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1ccccn1
Isomeric SMILES NCCc1ccccn1
InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
InChI Key XPQIPUZPSLAZDV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-pyridin-2-ylethanamine
Database Links Click here for help
BindingDB Ligand 22865
CAS Registry No. 2706-56-1
ChEBI CHEBI:147599
ChEMBL Ligand CHEMBL32813
GtoPdb PubChem SID 135649712
PubChem CID 75919
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Wikipedia 2-Pyridylethylamine