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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278164
CHEMBL278164
Compound Name NAPHTHYLAMINE
ChEMBL Synonyms 2-Naphthylamine | 2-Aminonaphthalene | Naphthalen-2-ylamine
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

Structural Alerts

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

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

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
ChEBI 27878
eMolecules 508456
FDA SRS CKR7XL41N4
Human Metabolome Database HMDB41802
IBM Patent System F34E7D77AEEBD27CD4A1FD241591F55C
IBM Patents US5494996 EP0617325B1 EP0255481A1 US4038268 US5053554 US20030176331 EP0208655A2 US5200512 US4251341 EP1377564B1 US3965182 WO1999042616A1 US6623955 EP1072614B1 US20050192292 US4224025 US6933411 EP0693536A1 EP0957145B1 US4480030 US4348260 EP1651596B1 US20080009539 US20070154732 US5892006 US20080161401 WO2007139312A1 WO2003052130A2 US20100248296 EP1655381A1 US6995156 US20050168553 US20050170202 EP0777149B1 EP0540143A3 US20070015863 US20050074631 US4059555 US5989297 US20040026315 EP0755985B1 WO2009145899A1 US5631377 EP1309253B1 EP0357336A2 US20060252060 US7375145 US4695645 US4416666 EP0721016A2 US20070048816 US4041025 WO1996008228A2 US20040265755 US4180517 US6734301 US20090068669 WO1998030721A1 WO1997030096A2 WO1992010479A1 EP0841089B1 US20070123674 US5618980 US5185243 US20050090580 EP1705176A1 EP2253630A1 WO1998028268A2 US20100059261 WO2005024755A2 US7803953 US6117893 US20020160445 US20100305115 EP0379369A2 EP0339578A1 US4502860 EP1418202A2 US20090056811 US20020173504 US5585248 US20100090206 US20090048207 WO2003027091A1 US7662903 US7717965 US6951706 EP1138746A1 US20020094485 WO2008091256A1 US20060106048 US20040255404 US4374262 EP1698624A1 US20040234810 EP0982374B1 US20090306402 US20060287310 US5206256 US4203921
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 ZINC00968125

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