ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL267526
CHEMBL267526
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16FNO2

Additional synonyms for CHEMBL267526 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(C)N)c(OC)cc1F
Standard InChI InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h ...
Download InChI
Standard InChI Key NRANUECGGQVXOT-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL267526

Alternate Forms of Compound in ChEMBL


CHEMBL267526

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
213.3 213.1165 1.81 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
- 9.36 1.79 -.15 1 15 0.83

Compound Cross References

ChemSpider ChemSpider:NRANUECGGQVXOT-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-fluoroamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL267526



BindingDB 50014988
Nikkaji J275.081C
PubChem 23844155
SureChEMBL SCHEMBL10322729

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