Cas no 771581-81-8 (2-(2,6-difluoro-3-methylphenyl)ethan-1-amine)

2-(2,6-Difluoro-3-methylphenyl)ethan-1-amine is a fluorinated aromatic amine compound characterized by its unique structural features, including a difluoro-methylphenyl core and an ethylamine side chain. This configuration imparts distinct electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms enhances metabolic stability and lipophilicity, which can improve bioavailability in drug development. The compound's rigid aromatic backbone and amine functionality also facilitate selective reactivity in coupling and derivatization reactions. Its well-defined purity and consistent performance make it suitable for research and industrial applications requiring precise molecular scaffolds. Proper handling and storage are recommended due to its amine reactivity.
2-(2,6-difluoro-3-methylphenyl)ethan-1-amine structure
771581-81-8 structure
Product Name:2-(2,6-difluoro-3-methylphenyl)ethan-1-amine
CAS No:771581-81-8
MF:C9H11F2N
MW:171.18714928627
CID:3375113
PubChem ID:53403474
Update Time:2025-06-10

2-(2,6-difluoro-3-methylphenyl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • BENZENEETHANAMINE, 2,6-DIFLUORO-3-METHYL-
    • 2-(2,6-difluoro-3-methylphenyl)ethanamine
    • 2-(2,6-Difluoro-3-methylphenyl)ethan-1-amine
    • AKOS006292005
    • 771581-81-8
    • EN300-1835438
    • CS-0280022
    • 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine
    • MDL: MFCD06213002
    • Inchi: 1S/C9H11F2N/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4-5,12H2,1H3
    • InChI Key: YJYZXIWVIJDXGQ-UHFFFAOYSA-N
    • SMILES: C(N)CC1=C(F)C=CC(C)=C1F

Computed Properties

  • Exact Mass: 171.08595568Da
  • Monoisotopic Mass: 171.08595568Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 26?2

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Additional information on 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine

Introduction to 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine (CAS No. 771581-81-8)

2-(2,6-difluoro-3-methylphenyl)ethan-1-amine, also known by its CAS number 771581-81-8, is a synthetic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, which include a difluoromethylphenyl group and an ethylamine moiety. These structural elements contribute to its potential therapeutic applications and make it an interesting subject for ongoing research.

The chemical structure of 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine can be represented as C9H11F2N. The presence of the difluoromethyl group imparts specific physicochemical properties to the molecule, such as enhanced lipophilicity and metabolic stability. These properties are crucial for optimizing the compound's pharmacokinetic profile, which is essential for its potential use in drug development.

In recent years, 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine has been studied for its potential as a lead compound in the development of new therapeutic agents. One of the key areas of interest is its interaction with specific receptors and enzymes in the body. For instance, studies have shown that this compound can modulate the activity of certain G protein-coupled receptors (GPCRs), which are important targets for a wide range of diseases, including neurological disorders and cardiovascular diseases.

The pharmacological profile of 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine has been explored through various in vitro and in vivo models. In vitro studies have demonstrated that the compound exhibits selective binding to specific receptor subtypes, suggesting its potential as a selective agonist or antagonist. This selectivity is a valuable property in drug design, as it can help minimize off-target effects and improve the safety profile of the final drug product.

Clinical trials involving 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine are still in their early stages, but preliminary results are promising. Phase I trials have shown that the compound is well-tolerated at therapeutic doses and exhibits favorable pharmacokinetic properties. These findings have paved the way for further clinical evaluation in larger patient populations.

Beyond its therapeutic potential, 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine has also been investigated for its use as a research tool in academic and industrial settings. Its ability to selectively interact with specific biological targets makes it a valuable probe for studying receptor function and signaling pathways. This application has broad implications for advancing our understanding of complex biological processes and identifying new targets for drug discovery.

The synthesis of 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine involves several well-established chemical reactions. One common synthetic route involves the reaction of 2,6-difluoro-3-methylbenzaldehyde with ethylamine under appropriate conditions. The resulting product can then be purified using standard techniques such as column chromatography or recrystallization. The ease of synthesis and availability of starting materials make this compound accessible for both academic research and industrial production.

In conclusion, 2-(2,6-difluoro-3-methylphenyl)ethan-1-amine (CAS No. 771581-81-8) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique structural features and favorable pharmacological properties make it an attractive candidate for further development as a therapeutic agent or research tool. Ongoing studies continue to uncover new insights into its mechanisms of action and potential clinical uses, highlighting its significance in the field.

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