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CAS 1213299-63-8

:

(αS)-4-Fluoro-α,3-dimethylbenzenemethanamine

Description:
(αS)-4-Fluoro-α,3-dimethylbenzenemethanamine, identified by its CAS number 1213299-63-8, is an organic compound characterized by its aromatic structure and the presence of a fluorine atom and amine group. This compound features a benzene ring substituted with two methyl groups and a fluorine atom at specific positions, contributing to its unique chemical properties. The amine functional group indicates that it can participate in hydrogen bonding, influencing its solubility and reactivity. The stereochemistry denoted by (αS) suggests that the compound has a specific spatial arrangement, which can affect its biological activity and interactions with other molecules. Such compounds are often of interest in medicinal chemistry and drug development due to their potential pharmacological properties. Additionally, the presence of the fluorine atom can enhance metabolic stability and lipophilicity, making it a valuable modification in the design of pharmaceuticals. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical behavior.
Formula:C9H12FN
InChI:InChI=1S/C9H12FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChI key:InChIKey=JBEYNOQDGHMKQW-ZETCQYMHSA-N
SMILES:[C@@H](C)(N)C1=CC(C)=C(F)C=C1
Synonyms:
  • Benzenemethanamine, 4-fluoro-α,3-dimethyl-, (αS)-
  • (1S)-1-(4-Fluoro-3-methylphenyl)ethanamine
  • (1S)-1-(4-Fluoro-3-methylphenyl)ethan-1-amine
  • (αS)-4-Fluoro-α,3-dimethylbenzenemethanamine
  • (S)-1-(4-Fluoro-3-methylphenyl)ethanamine
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