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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278059
CHEMBL278059
Compound Name
ChEMBL Synonyms 1-Phenyl-Ethylamine
Max Phase 0
Trade Names
Molecular Formula C8H11N

Additional synonyms for CHEMBL278059 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)c1ccccc1
Standard InChI InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
Standard InChI Key RQEUFEKYXDPUSK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278059

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 1.71 1 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
- 9.04 1.72 .08 1 9 0.6

Structural Alerts

There are no structural alerts for CHEMBL278059

Compound Cross References

ChemSpider ChemSpider:RQEUFEKYXDPUSK-UHFFFAOYSA-N
Wikipedia 1-Phenylethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278059



ACToR 3886-69-9 2627-86-3 618-36-0
BindingDB 50023171
Brenda 45311 15455 210793 15360 125329
ChEBI 670
ChemicalBook CB4365770
eMolecules 530630
EPA CompTox Dashboard DTXSID40862301
Human Metabolome Database HMDB0002017
IBM Patent System B39D32FCF6D38D3B4BDBB80CF8B4A449
KEGG Ligand C02455
Mcule MCULE-6637542099
Metabolights MTBLC670
MolPort MolPort-001-780-026
Nikkaji J66.056F
NMRShiftDB 20031242
PubChem 7408
PubChem: Thomson Pharma 15194419
SureChEMBL SCHEMBL830

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