Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	145666
Common Name:	Diethylpropion
Systematic Name:	2-(diethylamino)-1-phenylpropan-1-one
Synonyms:	(±)-diethylpropion; 1-phenyl-2-diethylamino-1-propanone; 2-(diethylamino)-1-phenyl-1-propanone; 2-(diethylamino)propiophenone; alpha-Benzoyltriethylamine; alpha-Diethylaminopropiophenone; Amfépramone; Amfepramone; Amfepramonum; Anfepramona; Diethylcathinone [PubChem Synonyms]
Exact Mass:	205.1467 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C13H19NO
InChIKey:	XXEPPPIWZFICOJ-UHFFFAOYSA-N
ClassyFire superclass:	Organic oxygen compounds [C0004603]
ClassyFire class:	Organooxygen compounds [C0000323]
ClassyFire subclass:	Carbonyl compounds [C0001831]
ClassyFire direct parent:	Ketones [C0000118]
Massbank MS spectra:	View MS spectra
SMILES:	CCN(CC)C(C)C(=O)c1ccccc1
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	7029
HMDB ID:	HMDB0015072
Drugbank ID:	DB00937
Plant Metabolite Hub(Pmhub):	MS000001388

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y