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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8100
CHEMBL8100
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H16ClNO2

Additional synonyms for CHEMBL8100 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(C)N)c(OC)cc1Cl
Standard InChI InChI=1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/ ...
Download InChI
Standard InChI Key ACRITBNCBMTINK-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL8100

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
229.7 229.087 2.27 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
- 9.41 2.33 .35 1 15 0.86

Structural Alerts

There are no structural alerts for CHEMBL8100

Compound Cross References

ChemSpider ChemSpider:ACRITBNCBMTINK-UHFFFAOYSA-N
Wikipedia 2,5-Dimethoxy-4-chloroamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8100



Nikkaji J275.082A
PubChem 542036
SureChEMBL SCHEMBL5295545

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