Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51831
Common Name:	2,6-dimethylaniline
Systematic Name:	2,6-dimethylaniline
RefMet Name:	2,6-Dimethylaniline
Synonyms:	1-amino-2,6-dimethylbenzene; 2,6-dimethylbenzenamine; 2,6-dimethylphenylamine; 2,6-xylidine; 2,6-xylylamine; 2-amino-1,3-dimethylbenzene; 2-amino-1,3-xylene; 2-amino-m-xylene; o-xylidine; vic-m-xylidine [PubChem Synonyms]
Exact Mass:	121.0891 (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:	C8H11N
InChIKey:	UFFBMTHBGFGIHF-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Xylenes [C0004208]
ClassyFire direct parent:	m-Xylenes [C0004209]
MoNA MS spectra:	View MS spectra
SMILES:	Cc1cccc(C)c1N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6896
CHEBI ID:	28738
HMDB ID:	HMDB0060677
Plant Metabolite Hub(Pmhub):	MS000004724

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