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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1135
CHEMBL1135
Compound Name DIMETHYLAMINOETHANOL
ChEMBL Synonyms N,N-Dimethylaminoethanol (Dmae) | DMAE
Max Phase 0
Trade Names
Molecular Formula C4H11NO

Additional synonyms for CHEMBL1135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCO
Standard InChI InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
Standard InChI Key UEEJHVSXFDXPFK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1135

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
89.1 89.0841 -0.22 2 23.47 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.88 -.25 -1.6 0 6 0.51

Structural Alerts

There are no structural alerts for CHEMBL1135

Compound Cross References

ChemSpider ChemSpider:UEEJHVSXFDXPFK-UHFFFAOYSA-N
PubChem SID: 144206714 SID: 144209019 SID: 144213161 SID: 29215350
Wikipedia Dimethylethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1135



ACToR 108-01-0
BindingDB 50060526
ChEBI 271436
DrugBank DB13352
DrugCentral 787
eMolecules 483509
EPA CompTox Dashboard DTXSID2020505
FDA SRS 2N6K9DRA24
Human Metabolome Database HMDB0032231
IBM Patent System 7F372702AFB390A6CD7CD92177FD3774
Mcule MCULE-7567469160
Nikkaji J5.068G
NMRShiftDB 20097242
PubChem 7902
PubChem: Thomson Pharma 15170407
SureChEMBL SCHEMBL16756236 SCHEMBL5945
ZINC ZINC000001641058

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