Cas no 1019481-58-3 (N-(2,4-Difluorophenyl)methylcyclopentanamine)

N-(2,4-Difluorophenyl)methylcyclopentanamine structure
1019481-58-3 structure
Product Name:N-(2,4-Difluorophenyl)methylcyclopentanamine
CAS No:1019481-58-3
MF:C12H15F2N
MW:211.25101017952
MDL:MFCD11139798
CID:4567811
Update Time:2025-11-02

N-(2,4-Difluorophenyl)methylcyclopentanamine Chemical and Physical Properties

Names and Identifiers

    • N-[(2,4-difluorophenyl)methyl]cyclopentanamine
    • N-(2,4-Difluorophenyl)methylcyclopentanamine
    • MDL: MFCD11139798
    • Inchi: 1S/C12H15F2N/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
    • InChI Key: HFHQBXCRNKOJOB-UHFFFAOYSA-N
    • SMILES: C1(CNC2CCCC2)=CC=C(F)C=C1F

Computed Properties

  • Exact Mass: 211.117256g/mol
  • Monoisotopic Mass: 211.117256g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 192
  • 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
  • Molecular Weight: 211.25g/mol
  • XLogP3: 2.8
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 271.4±25.0 °C at 760 mmHg
  • Flash Point: 117.9±23.2 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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N-(2,4-Difluorophenyl)methylcyclopentanamine Related Literature

Additional information on N-(2,4-Difluorophenyl)methylcyclopentanamine

Introduction to N-(2,4-Difluorophenyl)methylcyclopentanamine (CAS No. 1019481-58-3)

N-(2,4-Difluorophenyl)methylcyclopentanamine, identified by the CAS number 1019481-58-3, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to a class of molecules characterized by a cyclopentanamine core appended with a 2,4-difluorophenyl group, which imparts unique chemical and pharmacological properties. The presence of fluorine atoms in the aromatic ring is particularly noteworthy, as fluorine substitution can significantly influence the metabolic stability, lipophilicity, and binding affinity of a molecule.

The structural features of N-(2,4-Difluorophenyl)methylcyclopentanamine make it a promising candidate for further investigation in drug discovery. The cyclopentanamine moiety is a common pharmacophore found in various bioactive compounds, often contributing to interactions with biological targets such as enzymes and receptors. In contrast, the 2,4-difluorophenyl group introduces rigidity and electronic properties that can modulate the compound's behavior in biological systems. This combination of structural elements suggests potential applications in the development of novel therapeutic agents.

In recent years, there has been growing interest in fluorinated aromatic compounds due to their enhanced pharmacokinetic profiles. The fluorine atoms in N-(2,4-Difluorophenyl)methylcyclopentanamine can improve metabolic stability by resisting hydrolysis and oxidation, which is a critical factor in drug longevity within the body. Additionally, fluorine substitution can enhance binding affinity to biological targets, leading to more effective and selective drug action. These properties have made fluorinated compounds valuable in the design of next-generation pharmaceuticals.

The synthesis of N-(2,4-Difluorophenyl)methylcyclopentanamine involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. The introduction of the 2,4-difluorophenyl group typically involves fluorination techniques such as electrophilic aromatic substitution or metal-catalyzed cross-coupling reactions. The cyclopentanamine ring is often constructed through cyclization reactions or nucleophilic substitution processes. The successful synthesis of this compound requires expertise in organic chemistry and an understanding of advanced synthetic methodologies.

The pharmacological potential of N-(2,4-Difluorophenyl)methylcyclopentanamine has been explored in several preclinical studies. Researchers have investigated its interactions with various biological targets, including enzymes and receptors involved in neurological and cardiovascular diseases. Preliminary findings suggest that this compound may exhibit inhibitory effects on certain enzymes that are implicated in pathologies such as inflammation and pain modulation. These findings are particularly intriguing given the increasing demand for novel therapeutic strategies targeting these conditions.

The use of computational modeling and high-throughput screening has accelerated the discovery process for compounds like N-(2,4-Difluorophenyl)methylcyclopentanamine. By leveraging advanced computational techniques, researchers can predict the binding affinity and metabolic stability of potential drug candidates before conducting expensive experimental trials. This approach not only saves time but also reduces the risk of failure in later stages of drug development. The integration of computational chemistry with traditional synthetic methods has become a cornerstone of modern pharmaceutical research.

The future prospects for N-(2,4-Difluorophenyl)methylcyclopentanamine are promising, with ongoing studies aimed at optimizing its pharmacological properties and exploring new therapeutic applications. Researchers are also investigating derivatives of this compound to enhance its efficacy and reduce potential side effects. The development of novel fluorinated compounds continues to be a vibrant area of research, driven by the need for innovative solutions in medicine.

In conclusion, N-(2,4-Difluorophenyl)methylcyclopentanamine strong>(CAS No. 1019481-58-3) represents an intriguing compound with significant potential in pharmaceutical applications. Its unique structural features and favorable pharmacokinetic properties make it a valuable asset in the search for new therapeutic agents. As research progresses, it is likely that this compound will play an increasingly important role in addressing various medical challenges.

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