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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL16451
CHEMBL16451
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H15NO

Additional synonyms for CHEMBL16451 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1CC(C)N
Standard InChI InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11 ...
Download InChI
Standard InChI Key VBAHFEPKESUPDE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL16451

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
165.2 165.1154 1.62 3 35.25 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10 1.81 -.67 1 12 0.74

Structural Alerts

There are no structural alerts for CHEMBL16451

Compound Cross References

ChemSpider ChemSpider:VBAHFEPKESUPDE-UHFFFAOYSA-N
Wikipedia 2-Methoxyamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL16451



ACToR 15402-84-3
BindingDB 50024208
eMolecules 888442
IBM Patent System 143D1B16B147851283632D4FA328D3D7
Mcule MCULE-4586512912
MolPort MolPort-001-793-477
Nikkaji J387.182G
PubChem 159755
PubChem: Thomson Pharma 15243315
SureChEMBL SCHEMBL266563

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