CAS 946729-73-3

3-Chloro-4-[2-methyl-5-(1-methylethyl)phenoxy]benzenamine

Description:

3-Chloro-4-[2-methyl-5-(1-methylethyl)phenoxy]benzenamine, with the CAS number 946729-73-3, is an organic compound characterized by its complex structure, which includes a chloro group, an amine functional group, and a phenoxy moiety. This compound features a chlorinated aromatic ring, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the isopropyl group (1-methylethyl) and the methyl substituent on the phenoxy ring enhances its hydrophobic characteristics, influencing its solubility and interaction with biological systems. The amine group can participate in hydrogen bonding, making it a potential candidate for various chemical reactions and interactions. Overall, the unique combination of functional groups in this compound suggests it may exhibit interesting biological activity, warranting further investigation for potential uses in medicinal chemistry or as a synthetic intermediate in organic synthesis.

Formula: C₁₆H₁₈ClNO

InChI: InChI=1S/C16H18ClNO/c1-10(2)12-5-4-11(3)16(8-12)19-15-7-6-13(18)9-14(15)17/h4-10H,18H2,1-3H3

InChI key: InChIKey=TVENXDYVJQBLCS-UHFFFAOYSA-N

SMILES: O(C1=CC(C(C)C)=CC=C1C)C2=C(Cl)C=C(N)C=C2

Synonyms:

• 3-Chloro-4-[2-methyl-5-(1-methylethyl)phenoxy]benzenamine
• Benzenamine, 3-chloro-4-[2-methyl-5-(1-methylethyl)phenoxy]-