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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19216
CHEMBL19216
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H11NO

Additional synonyms for CHEMBL19216 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCC(O)c1ccccc1
Standard InChI InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
Standard InChI Key ULSIYEODSMZIPX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL19216

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
137.2 137.0841 0.43 2 46.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.04 8.43 0 -1.62 1 10 0.62

Structural Alerts

There are no structural alerts for CHEMBL19216

Compound Cross References

ChemSpider ChemSpider:ULSIYEODSMZIPX-UHFFFAOYSA-N
Wikipedia Phenylethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19216



ACToR 7568-93-6 1477-64-1
BindingDB 13015
ChEBI 16343
eMolecules 477097
Human Metabolome Database HMDB01065
IBM Patent System 399F8DF239623F1DA82A97AD09D9A90A
KEGG Ligand C02735
Mcule MCULE-5691695805
MolPort MolPort-001-770-902
Nikkaji J41.855B
NMRShiftDB 20032293
PubChem 1000
PubChem: Thomson Pharma 15146685
SureChEMBL SCHEMBL2021

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