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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295652
CHEMBL295652
Compound Name
ChEMBL Synonyms 4-Methoxy-Phenylamine | 4-Methoxyaniline
Max Phase 0
Trade Names
Molecular Formula C7H9NO

Additional synonyms for CHEMBL295652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(N)cc1
Standard InChI InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Standard InChI Key BHAAPTBBJKJZER-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL295652

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
123.2 123.0684 1.07 1 35.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.21 .94 .93 1 9 0.57

Structural Alerts

There are 4 structural alerts for CHEMBL295652. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BHAAPTBBJKJZER-UHFFFAOYSA-N
PubChem SID: 144209635 SID: 144213356 SID: 17388800
Wikipedia P-Anisidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295652



ACToR 104-94-9 20265-97-8
Brenda 5655 3894 4338 144897
ChEBI 82388
eMolecules 477943
EPA CompTox Dashboard DTXSID7024532
FDA SRS 575917SNR4
Human Metabolome Database HMDB0029300
IBM Patent System 026EBF77A9209E49678C91A6E441A95C
KEGG Ligand C19326
Mcule MCULE-4031615314
MolPort MolPort-000-871-468
Nikkaji J4.027D
NMRShiftDB 10008622
PubChem 7732
PubChem: Thomson Pharma 15297159
SureChEMBL SCHEMBL5097
ZINC ZINC000004556034

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