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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 1.99 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
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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