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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278164
CHEMBL278164
Compound Name NAPHTHYLAMINE
ChEMBL Synonyms Naphthalen-2-ylamine | 2-Aminonaphthalene | 2-Naphthylamine
Max Phase 0
Trade Names
Molecular Formula C10H9N

Additional synonyms for CHEMBL278164 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc2ccccc2c1
Standard InChI InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
Standard InChI Key JBIJLHTVPXGSAM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278164

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
143.2 143.0735 2.42 0 26.02 NEUTRAL


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
- 4.32 2.32 2.32 2 11 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL278164. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JBIJLHTVPXGSAM-UHFFFAOYSA-N
PubChem SID: 144209289 SID: 144210368 SID: 17389806 SID: 87334325
Wikipedia 2-Naphthylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278164



ACToR 91-59-8
Brenda 1114 31298 121477 497 141675
ChEBI 27878
ChemicalBook CB1455553
eMolecules 508456
EPA CompTox Dashboard DTXSID2020921
FDA SRS CKR7XL41N4
Human Metabolome Database HMDB0041802
IBM Patent System F34E7D77AEEBD27CD4A1FD241591F55C
KEGG Ligand C02227
Mcule MCULE-8740822011
MolPort MolPort-000-928-058
Nikkaji J3.925J
NMRShiftDB 10016023
PubChem 7057
PubChem: Thomson Pharma 14747796
SureChEMBL SCHEMBL76713
ZINC ZINC000000968125

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