Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	148977
Common Name:	2-Amino-4-methylphenol
Systematic Name:	2-amino-4-methylphenol
Synonyms:	2-Amino-p-cresol; 2-Hydroxy-5-methylaniline; 3-Amino-4-hydroxytoluene; 4-Methyl-2-aminophenol [PubChem Synonyms]
Exact Mass:	123.0684 (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:	C7H9NO
InChIKey:	ZMXYNJXDULEQCK-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Phenols [C0000134]
ClassyFire subclass:	Cresols [C0001272]
ClassyFire direct parent:	Para cresols [C0001275]
Massbank MS spectra:	View MS spectra
SMILES:	Cc1ccc(c(c1)N)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	7264
Drugbank ID:	DB04533
CHEMBL ID:	CHEMBL224282
Plant Metabolite Hub(Pmhub):	MS000006812

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