PEA

2-PHENYLETHYLAMINE

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

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14 entries where PEA is found as a standalone ligand1 entries where PEA is covalently linked to polymer or other heterogen groups 3 entries where PEA is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-PHENYLETHYLAMINE
Systematic Name (OpenEye OEToolkits)	phenethylazanium
Formula	C₈ H₁₂ N
Molecular Weight	122.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1ccccc1CC[NH3+]
SMILES	CACTVS	3.341	[NH3+]CCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC[NH3+]
Canonical SMILES	CACTVS	3.341	[NH3+]CCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC[NH3+]
InChI	InChI	1.03	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKey	InChI	1.03	BHHGXPLMPWCGHP-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB04325
Name	Phenethylamine
Groups	experimental
Synonyms	Phenethylamine Phenylethylamine β-phenethylamine 2-phenylethylamine benzeneethanamine beta-Phenylethylamine β-aminoethylbenzene
Categories	Amines Central Nervous System Agents Central Nervous System Depressants Ethylamines Psychotropic Drugs
CAS number	64-04-0

Drug Targets

Name	Target Sequence	Pharmacological Action
Primary amine oxidase	MGSPSLYSARKTTLALAVALSFAWQAPVFAHGGEAHMVPMDKTLKEFGAD...	unknown
Trypsin-1	MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...	unknown
Trypsin-2	MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGG...	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 Name	Reference
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