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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201358
CHEMBL1201358
Compound Name BENZPHETAMINE
ChEMBL Synonyms Benzphetamine
Max Phase 0
Trade Names
Molecular Formula C17H21N

Additional synonyms for CHEMBL1201358 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Cc1ccccc1)N(C)Cc2ccccc2
Standard InChI InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4 ...
Download InChI
Standard InChI Key YXKTVDFXDRQTKV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201358

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
239.4 239.1674 3.75 5 3.24 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.88 3.84 2.36 2 18 0.77

Structural Alerts

There are no structural alerts for CHEMBL1201358

Compound Cross References

ChemSpider ChemSpider:YXKTVDFXDRQTKV-UHFFFAOYSA-N
Wikipedia Benzphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201358



ACToR 101-47-3
Brenda 125454
IBM Patent System 381C9D631133B34462C8A384E0D31500
KEGG Ligand C07538
Nikkaji J292.236C
PharmGKB PA448586
PubChem 2341
SureChEMBL SCHEMBL678807

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