ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL610
CHEMBL610
Compound Name PHENETHYLAMINE
ChEMBL Synonyms Phenylethylamine | Phenethylamine
Max Phase 0
Trade Names
Molecular Formula C8H11N

Additional synonyms for CHEMBL610 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccccc1
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

Alternate Forms of Compound in ChEMBL


CHEMBL610

Metabolites for CHEMBL610

Open in full screen

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
121.2 121.0891 1.26 2 26.02 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.9 1.44 -.97 1 9 0.63

Structural Alerts

There are no structural alerts for CHEMBL610

Compound Cross References

ChemSpider ChemSpider:BHHGXPLMPWCGHP-UHFFFAOYSA-N
PubChem SID: 26756723 SID: 49718670
Wikipedia Phenethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL610



ACToR 64-04-0
BindingDB 10758
ChEBI 18397
eMolecules 480062
EPA CompTox Dashboard DTXSID5058773
FDA SRS 327C7L2BXQ
Guide to Pharmacology 2144
Human Metabolome Database HMDB60276 HMDB12275
IBM Patent System 73781A6351F0DCDE41FFA0E86C9E448A
KEGG Ligand C05332
Mcule MCULE-5305816256
MolPort MolPort-000-871-498
Nikkaji J4.833J
NMRShiftDB 20032292
PubChem 1001
PubChem: Thomson Pharma 14747570
SureChEMBL SCHEMBL968

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BHHGXPLMPWCGHP-UHFFFAOYSA-N spacer
spacer