CAS 1035818-89-3

1,1-Dimethylethyl N-[2-amino-2-(4-fluoro-3-methylphenyl)ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-amino-2-(4-fluoro-3-methylphenyl)ethyl]carbamate, identified by its CAS number 1035818-89-3, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by a tert-butyl group (1,1-dimethylethyl) attached to a carbamate functional group, which is further linked to an amino group. The presence of a 4-fluoro-3-methylphenyl moiety indicates that it has a fluorinated aromatic ring, contributing to its potential biological activity. The compound is likely to exhibit moderate to high lipophilicity due to the bulky tert-butyl group and the aromatic system, which may influence its solubility and permeability in biological systems. Additionally, the amino group suggests potential for hydrogen bonding, which could affect its interaction with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, but specific biological activities and safety profiles would require further investigation.

Formula: C₁₄H₂₁FN₂O₂

InChI: InChI=1S/C14H21FN2O2/c1-9-7-10(5-6-11(9)15)12(16)8-17-13(18)19-14(2,3)4/h5-7,12H,8,16H2,1-4H3,(H,17,18)

InChI key: InChIKey=RPMXTRFQCUSGND-UHFFFAOYSA-N

SMILES: C(CNC(OC(C)(C)C)=O)(N)C1=CC(C)=C(F)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[2-amino-2-(4-fluoro-3-methylphenyl)ethyl]carbamate
• Carbamic acid, N-[2-amino-2-(4-fluoro-3-methylphenyl)ethyl]-, 1,1-dimethylethyl ester