CAS 946729-52-8

2-[4-(1,1-Dimethylethyl)phenoxy]-5-fluorobenzenamine

Description:

2-[4-(1,1-Dimethylethyl)phenoxy]-5-fluorobenzenamine, with the CAS number 946729-52-8, is an organic compound characterized by its complex structure, which includes a fluorobenzene moiety and a phenoxy group substituted with a tert-butyl group. This compound typically exhibits properties associated with aromatic amines, such as moderate solubility in organic solvents and potential reactivity due to the presence of the amine functional group. The tert-butyl group contributes to steric hindrance, which can influence the compound's reactivity and interactions with other molecules. The fluorine atom in the structure can enhance lipophilicity and may affect the compound's biological activity, making it of interest in pharmaceutical research. Additionally, the presence of both electron-donating and electron-withdrawing groups can impact the electronic properties, potentially influencing its behavior in chemical reactions. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry and materials science, although specific applications would depend on further research and characterization.

Formula: C₁₆H₁₈FNO

InChI: InChI=1S/C16H18FNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3

InChI key: InChIKey=FUMTXLDEVQMLCQ-UHFFFAOYSA-N

SMILES: O(C1=C(N)C=C(F)C=C1)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• Benzenamine, 2-[4-(1,1-dimethylethyl)phenoxy]-5-fluoro-
• 2-[4-(1,1-Dimethylethyl)phenoxy]-5-fluorobenzenamine