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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL371654
CHEMBL371654
Compound Name
ChEMBL Synonyms Dimethyl-Phenyl-Amine | N,N-Dimethylaniline
Max Phase 0
Trade Names
Molecular Formula C8H11N

Additional synonyms for CHEMBL371654 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccccc1
Standard InChI InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
Standard InChI Key JLTDJTHDQAWBAV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL371654

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 1.75 1 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.1 2.13 2.13 1 9 0.55

Structural Alerts

There are no structural alerts for CHEMBL371654

Compound Cross References

ChemSpider ChemSpider:JLTDJTHDQAWBAV-UHFFFAOYSA-N
PubChem SID: 144209011 SID: 144210356 SID: 17389911
Wikipedia Dimethylaniline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL371654



ACToR 121-69-7
Brenda 15852
ChEBI 16269
ChemicalBook CB6852937 CB12130984
eMolecules 497094
EPA CompTox Dashboard DTXSID2020507
FDA SRS 7426719369
Human Metabolome Database HMDB0001020
IBM Patent System D385E91E6CDA19CAFA619576E0E4B84F 21B44CEBE75B46F25FAFF95F14A839DB
KEGG Ligand C02846
Mcule MCULE-7231102072
MolPort MolPort-000-871-971
Nikkaji J2.488K
NMRShiftDB 10008684
PubChem 949
PubChem: Thomson Pharma 14769321
Rhea 16269
SureChEMBL SCHEMBL8277
ZINC ZINC000012358697

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