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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8224
CHEMBL8224
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H21NO2

Additional synonyms for CHEMBL8224 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cc(OC)c(CC(C)N)cc1OC
Standard InChI InChI=1S/C13H21NO2/c1-5-10-7-13(16-4)11(6-9(2)14)8-12(10)15- ...
Download InChI
Standard InChI Key HXJKWPGVENNMCC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8224

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
223.3 223.1572 2.54 5 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
- 9.77 2.83 .53 1 16 0.83

Structural Alerts

There are no structural alerts for CHEMBL8224

Compound Cross References

ChemSpider ChemSpider:HXJKWPGVENNMCC-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-ethylamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8224



ACToR 15588-95-1 22004-32-6
BindingDB 81965
DrugBank DB01467
IBM Patent System A792111012579F83FC80540ADF810C1C
Nikkaji J71.136E
PubChem 27402
PubChem: Thomson Pharma 15018852
SureChEMBL SCHEMBL1740704

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