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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232589
CHEMBL1232589
Compound Name METHYLETHYLAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H9N

Additional synonyms for CHEMBL1232589 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC
Standard InChI InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3
Standard InChI Key LIWAQLJGPBVORC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1232589

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
59.1 59.0735 0.23 1 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.76 .15 -2.76 0 4 0.46

Structural Alerts

There are no structural alerts for CHEMBL1232589

Compound Cross References

ChemSpider ChemSpider:LIWAQLJGPBVORC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232589



ACToR 624-78-2
Brenda 30184 32635
ChemicalBook CB4674096
DrugBank DB02396
eMolecules 475899
EPA CompTox Dashboard DTXSID8060793
MolPort MolPort-001-787-402
Nikkaji J1.679I
NMRShiftDB 30000588
PDBe ETN
PubChem 12219
PubChem: Thomson Pharma 15188706
SureChEMBL SCHEMBL14666
ZINC ZINC000002031662

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