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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
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

Structural Alerts

There are no structural alerts for CHEMBL1135

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

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
eMolecules 483509
FDA SRS 2N6K9DRA24
Human Metabolome Database HMDB32231
IBM Patent System 7F372702AFB390A6CD7CD92177FD3774
Mcule MCULE-7567469160
Nikkaji J5.068G
NMRShiftDB 20097242
PubChem 7902
PubChem: Thomson Pharma 15170407
SureChEMBL SCHEMBL16756236 SCHEMBL5945

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