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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8569
CHEMBL8569
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H23NO2

Additional synonyms for CHEMBL8569 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(OC)c(CC(C)N)cc1OC
Standard InChI InChI=1S/C14H23NO2/c1-5-6-11-8-14(17-4)12(7-10(2)15)9-13(11) ...
Download InChI
Standard InChI Key UEEAUFJYLUJWQJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8569

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
237.3 237.1729 3 6 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 3.34 1.04 1 17 0.83

Structural Alerts

There are no structural alerts for CHEMBL8569

Compound Cross References

ChemSpider ChemSpider:UEEAUFJYLUJWQJ-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-propylamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8569



BindingDB 50005249
EPA CompTox Dashboard DTXSID40337347
Nikkaji J273.474E
PubChem 542051
SureChEMBL SCHEMBL5470316

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