CAS 1119452-96-8

N1-[(2-Chloro-4-fluorophenyl)methyl]-1,3-propanediamine

Description:

N1-[(2-Chloro-4-fluorophenyl)methyl]-1,3-propanediamine, identified by its CAS number 1119452-96-8, is a chemical compound characterized by its amine functional groups and a substituted aromatic ring. This compound features a propanediamine backbone, which consists of two amine (-NH2) groups, and is substituted with a 2-chloro-4-fluorobenzyl group. The presence of chlorine and fluorine atoms on the aromatic ring contributes to its unique chemical properties, potentially influencing its reactivity and biological activity. The compound may exhibit polar characteristics due to the amine groups, which can engage in hydrogen bonding, affecting its solubility in various solvents. Additionally, the structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. Overall, this compound represents a class of organic molecules that may have significant implications in chemical research and drug development.

Formula: C₁₀H₁₄ClFN₂

InChI: InChI=1S/C10H14ClFN2/c11-10-6-9(12)3-2-8(10)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7,13H2

InChI key: InChIKey=NGYPRJWIPUTLNJ-UHFFFAOYSA-N

SMILES: C(NCCCN)C1=C(Cl)C=C(F)C=C1

Synonyms:

• N1-[(2-Chloro-4-fluorophenyl)methyl]-1,3-propanediamine
• 1,3-Propanediamine, N1-[(2-chloro-4-fluorophenyl)methyl]-