Cas no 233608-09-8 (1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE)

1-(4-Bromophenyl)-2-methylpropan-1-amine hydrochloride is a chiral amine derivative with a brominated aromatic ring and a branched alkyl chain. Its hydrochloride salt form enhances stability and solubility, making it suitable for synthetic applications in pharmaceutical and agrochemical research. The compound features a stereocenter, allowing for potential use in asymmetric synthesis or as a building block for bioactive molecules. The 4-bromophenyl group offers reactivity for further functionalization via cross-coupling reactions (e.g., Suzuki or Buchwald-Hartwig), while the isopropyl substituent may influence steric and electronic properties. This reagent is particularly valuable in medicinal chemistry for structure-activity relationship (SAR) studies due to its balanced lipophilicity and molecular rigidity. Proper handling under inert conditions is recommended due to its amine hydrochloride nature.
1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE structure
233608-09-8 structure
Product Name:1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE
CAS No:233608-09-8
MF:C10H15BrClN
MW:264.589801073074
CID:4642365
PubChem ID:137698463
Update Time:2025-07-02

1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE Chemical and Physical Properties

Names and Identifiers

    • 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE
    • 1-(4-bromophenyl)-2-methylpropan-1-amine HCl
    • 1-(4-Bromophenyl)-2-methylpropan-1-aminehydrochloride
    • Z3211605350
    • EN300-1707773
    • MFCD30725573
    • 233608-09-8
    • N12886
    • 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINEHCL
    • 1-(4-bromophenyl)-2-methylpropan-1-amine;hydrochloride
    • Inchi: 1S/C10H14BrN.ClH/c1-7(2)10(12)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
    • InChI Key: LEQDIWNGVYSISP-UHFFFAOYSA-N
    • SMILES: C(C1=CC=C(Br)C=C1)(N)C(C)C.[H]Cl

Computed Properties

  • Exact Mass: 263.00764g/mol
  • Monoisotopic Mass: 263.00764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 128
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

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Additional information on 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE

Comprehensive Overview of 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE (CAS No. 233608-09-8)

1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE (CAS No. 233608-09-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, characterized by its bromophenyl and methylpropylamine functional groups, is widely studied for its potential applications in medicinal chemistry and drug development. Researchers are particularly interested in its structural properties, which make it a valuable intermediate in synthesizing more complex molecules.

The compound's hydrochloride salt form enhances its stability and solubility, making it suitable for various experimental and industrial applications. Its CAS number 233608-09-8 serves as a unique identifier, ensuring precise tracking in global chemical databases. The presence of the 4-bromophenyl group contributes to its reactivity, enabling diverse chemical transformations that are crucial in organic synthesis.

In recent years, the demand for 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE has increased due to its relevance in neuropharmacology and central nervous system (CNS) research. Scientists are exploring its potential as a precursor for compounds targeting neurotransmitter systems. This aligns with current trends in precision medicine and personalized therapeutics, where tailored molecular structures are essential for developing effective treatments.

Another area of interest is the compound's role in high-throughput screening (HTS) platforms. Its unique chemical profile allows researchers to evaluate its interactions with various biological targets, contributing to the discovery of novel bioactive molecules. This is particularly relevant in the context of AI-driven drug discovery, where computational models predict compound efficacy before laboratory testing.

From a synthetic chemistry perspective, 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE is valued for its versatility. The bromine atom on the phenyl ring facilitates cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in constructing complex aromatic systems. These reactions are widely used in the synthesis of pharmaceutical intermediates and agrochemicals.

Environmental and safety considerations are also critical when handling this compound. While it is not classified as hazardous under standard regulations, proper laboratory practices, including the use of personal protective equipment (PPE) and fume hoods, are recommended. Researchers often inquire about its storage conditions and shelf life, which are essential for maintaining its integrity over time.

The compound's relevance extends to academic research, where it is frequently cited in studies involving structure-activity relationships (SAR). By modifying its core structure, scientists can derive analogs with enhanced properties, a strategy central to lead optimization in drug development. This approach is increasingly supported by machine learning algorithms that predict molecular behavior.

In summary, 1-(4-BROMOPHENYL)-2-METHYLPROPAN-1-AMINE HYDROCHLORIDE (CAS No. 233608-09-8) is a multifaceted compound with broad applications in pharmaceutical research, organic synthesis, and biotechnology. Its unique chemical attributes and compatibility with modern drug discovery methodologies make it a subject of ongoing scientific exploration. As the field advances, this compound is likely to play an even more significant role in addressing unmet medical needs.

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