PRA

3-PHENYLPROPYLAMINE

Created: 1999-07-08
Last modified:  2024-09-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of PRA
Toggle HydrogenToggle Labels

Chemical Component Summary

Name3-PHENYLPROPYLAMINE
Systematic Name (OpenEye OEToolkits)3-phenylpropan-1-amine
FormulaC9 H13 N
Molecular Weight135.206
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(CCc1ccccc1)N
SMILESCACTVS3.385NCCCc1ccccc1
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCCN
Canonical SMILESCACTVS3.385 NCCCc1ccccc1
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)CCCN
InChIInChI1.03 InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
InChIKeyInChI1.03 LYUQWQRTDLVQGA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04410 
Name3-Phenylpropylamine
Groups experimental
Synonyms
  • 3-phenylpropanamine
  • benzenepropanamine
  • 3-phenyl-1-propylamine
  • gamma-phenylpropylamine
  • 3-phenyl-1-aminopropane
CategoriesAmines
CAS number2038-57-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Trypsin-1MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...unknown
Trypsin-2MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 16259
ChEMBL CHEMBL276864
CCDC/CSD MOKVAK, KIGZIK