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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL158578
CHEMBL158578
Compound Name
ChEMBL Synonyms 2-Phenyl-Propylamine
Max Phase 0
Trade Names
Molecular Formula C9H13N

Additional synonyms for CHEMBL158578 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CN)c1ccccc1
Standard InChI InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
Standard InChI Key AXORVIZLPOGIRG-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL158578

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
135.2 135.1048 1.58 2 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.92 1.79 -.63 1 10 0.65

Structural Alerts

There are no structural alerts for CHEMBL158578

Compound Cross References

ChemSpider ChemSpider:AXORVIZLPOGIRG-UHFFFAOYSA-N
Wikipedia %CE%92-Methylphenethylamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL158578



eMolecules 485986
Guide to Pharmacology 5510
IBM Patent System 8FE35715D075B5516E25F7AFE13FFB59
Mcule MCULE-7469159538
MolPort MolPort-001-769-810
Nikkaji J53.744F J76.815D
NMRShiftDB 20208484
PubChem 11398
PubChem: Thomson Pharma 16569219
SureChEMBL SCHEMBL2107

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