4-methoxy-2-methyl-n-phenylaniline

Synonyms: "4-Methoxy-2-methyldiphenylamine", "4-methoxy-2-methyl-N-phenylaniline", "Benzenamine, 4-methoxy-2-methyl-N-phenyl-", "UNII-970C666H5W", "4-Methoxy-2-Methyl Diphenylamine", "(4-methoxy-2-methylphenyl)phenylamine", "N-Phenyl-m-cresidine", "3-methoxy-6-anilinotoluene".

Source: 4-Methoxy-2-methyldiphenylamine is a reactant used in organic synthesis of 3-dibutylamino-6-methyl-7-anilinofluoran, which is a dye precursor.

Identifiers:

IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline
CAS Number: 41317-15-1
PubChem ID: 162461
InChiKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₄H₁₅NO
Molecular Weight: 213.280

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 16

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Araki N, Ohno K, Nakai M, Takeyoshi M, Iida M. 2005. Screening for androgen receptor activities in 253 industrial chemicals by in vitro reporter gene assays using AR-EcoScreen cells. Toxicol In Vitro 19(6):831-842. DOI: 10.1016/j.tiv.2005.04.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233305000706?via%3Dihub.