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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14449
CHEMBL14449
Compound Name ETHYLAMINE
ChEMBL Synonyms Ethamine | Monoethylamine | Aminoethane
Max Phase 0
Trade Names
Molecular Formula C2H7N

Additional synonyms for CHEMBL14449 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN
Standard InChI InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
Standard InChI Key QUSNBJAOOMFDIB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14449

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
45.1 45.0578 -0.03 0 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.64 .04 -2.83 0 3 0.41

Structural Alerts

There are no structural alerts for CHEMBL14449

Compound Cross References

ChemSpider ChemSpider:QUSNBJAOOMFDIB-UHFFFAOYSA-N
Wikipedia Ethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14449



ACToR 75-04-7 43031-21-6
Brenda 701 131467 218388 84183
ChEBI 15862
ChemicalBook CB8205711
eMolecules 475371
EPA CompTox Dashboard DTXSID8025678
FDA SRS YG6MGA6AT5
Human Metabolome Database HMDB0013231
KEGG Ligand C00797
Mcule MCULE-5999638632
Metabolights MTBLC15862
MolPort MolPort-001-788-340
Nikkaji J1.437K
NMRShiftDB 10016919
PDBe NEH
PubChem 6341
PubChem: Thomson Pharma 14793618
SureChEMBL SCHEMBL1793

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