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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL136560
CHEMBL136560
Compound Name (1R,2S)-PHENYLPROPANOLAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H13NO

Additional synonyms for CHEMBL136560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](N)[C@H](O)c1ccccc1
Standard InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2, ...
Download InChI
Standard InChI Key DLNKOYKMWOXYQA-CBAPKCEASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL136560

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
151.2 151.0997 1.07 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
12.06 8.47 .36 -1.52 1 11 0.66

Structural Alerts

There are no structural alerts for CHEMBL136560

Compound Cross References

ChemSpider ChemSpider:DLNKOYKMWOXYQA-CBAPKCEASA-N
Wikipedia Phenylpropanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL136560



ChEBI 80680
eMolecules 494483
EPA CompTox Dashboard DTXSID10889348
FDA SRS 57B9YG5Y1E
IBM Patent System 9F055CEE474F8AAB4D66753861D0F3FC
KEGG Ligand C16719
Nikkaji J22.046I
NMRShiftDB 20039266
PubChem 10297
PubChem: Thomson Pharma 15321633 15170900
SureChEMBL SCHEMBL152038
ZINC ZINC000000157545

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