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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL287047
CHEMBL287047
Compound Name
ChEMBL Synonyms 2-(2,5-Dimethoxyphenyl)Ethylamine
Max Phase 0
Trade Names
Molecular Formula C10H15NO2

Additional synonyms for CHEMBL287047 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(OC)c(CCN)c1
Standard InChI InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H, ...
Download InChI
Standard InChI Key WNCUVUUEJZEATP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL287047

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
181.2 181.1103 1.22 4 44.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.72 1.4 -.86 1 13 0.76

Structural Alerts

There are no structural alerts for CHEMBL287047

Compound Cross References

ChemSpider ChemSpider:WNCUVUUEJZEATP-UHFFFAOYSA-N
Wikipedia 2C-H

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL287047



ACToR 3600-86-0
BindingDB 50026778
Brenda 34951
ChEBI 125507
eMolecules 500543
EPA CompTox Dashboard DTXSID80189564
FDA SRS 9A8XF4GA0X
IBM Patent System B834F470B935712AD39C1A830BDCFE20
LINCS LSM-37012
Mcule MCULE-3905051761
MolPort MolPort-001-784-465
Nikkaji J387.184C
NMRShiftDB 20242257
PubChem 76632
PubChem: Thomson Pharma 15586566
SureChEMBL SCHEMBL479514
ZINC ZINC000000389703

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