3D-FI133881 - 1-isopropyl-2-methylpropylamine

2-Methyl-1-phenylpropan-1-amine

a-(1-Methylethyl)benzenemethanamine is a phenylalkylamine that has been modified to contain a chloride group. It can be used as an analytical tool to study the effects of molecular modifications on the inhibitory potency and selectivity of phenylalkylamines. The chloride group was introduced in order to increase the solubility of this molecule in water and make it more compatible with other molecules that are often used for analysis, such as isopropyl alcohol. Electrospray ionization (ESI) was employed to generate a positive ion spectrum, which was then analyzed by a mass spectrometer (MS). Molecular modeling studies were also conducted using quantum chemical tools to predict the structure of this compound. Structural modifications were made based on these predictions in order to optimize properties such as inhibitory potency and selectivity. These changes were validated using ESI-MS analysis and then confirmed by molecular modeling studies. This compound can be used