PEA

2-PHENYLETHYLAMINE

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

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Chemical Details

Formal Charge1
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of PEA
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Chemical Component Summary

Name2-PHENYLETHYLAMINE
Systematic Name (OpenEye OEToolkits)phenethylazanium
FormulaC8 H12 N
Molecular Weight122.188
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04c1ccccc1CC[NH3+]
SMILESCACTVS3.341[NH3+]CCc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC[NH3+]
Canonical SMILESCACTVS3.341 [NH3+]CCc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)CC[NH3+]
InChIInChI1.03 InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyInChI1.03 BHHGXPLMPWCGHP-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB04325 
NamePhenethylamine
Groups experimental
Synonyms
  • β-aminoethylbenzene
  • β-phenethylamine
  • benzeneethanamine
  • Phenethylamine
  • 2-phenylethylamine
Categories
  • Amines
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Ethylamines
  • Psychotropic Drugs
CAS number64-04-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Primary amine oxidaseMGSPSLYSARKTTLALAVALSFAWQAPVFAHGGEAHMVPMDKTLKEFGAD...unknown
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 448751
ChEBI CHEBI:225237
CCDC/CSD PEAHCL02, EKIWUS, CUYBII, MOCRUU, COCPEQ, JOMGEA, PEAHCL01, RIVZIF01, JOMGAW, RIVZIF, EKIWUS01, KEJCEH01, BIJSET, DILDAE, MAPBOU01, EYUWUR, COCPIU, OHOXER, QENFOH, POGDEX, PEYJUZ, FAYMAU, ACIGOJ, JUKNUB, LIWRIU, RUSFUI, EYUWEB, ADEJEZ, PUSQEC, KEJCIL, KEJCEH, ESIMAW, DOSHAX, EYUWAX, EYUXEC, UDISEI, ORAWIQ, UBEXUY, AZOGAA, PEYJUZ01, ORAWOW, ORACES, POFKOK04
COD 2213936, 2211727