Cas no 100485-65-2 ((1R)-2-methyl-1-(3-methylphenyl)propan-1-amine)

(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine is a chiral amine compound characterized by its stereospecific (R)-configuration and a substituted phenyl group. This structure imparts potential utility as an intermediate in asymmetric synthesis, particularly in pharmaceutical applications where enantioselectivity is critical. The presence of the 3-methylphenyl group enhances lipophilicity, which may influence binding affinity in receptor-targeted molecules. Its well-defined stereochemistry ensures reproducibility in synthetic pathways, making it valuable for research and development of bioactive compounds. The compound's stability under standard conditions further supports its handling in laboratory settings. Analytical methods such as chiral HPLC or NMR can confirm its purity and stereochemical integrity, ensuring suitability for high-precision applications.
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine structure
100485-65-2 structure
Product Name:(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CAS No:100485-65-2
MF:C11H18ClN
MW:199.720322132111
MDL:MFCD12757113
CID:1030347
PubChem ID:53484746
Update Time:2025-10-30

(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (R)-2-Methyl-1-(m-tolyl)propan-1-amine hydrochloride
    • (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine,hydrochloride
    • (1R)-2-METHYL-1-(3-METHYLPHENYL)PROPYLAMINE-HCL
    • CS-0439622
    • (1R)-2-METHYL-1-(3-METHYLPHENYL)PROPYLAMINE HCl
    • DTXSID30704185
    • (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine;hydrochloride
    • AKOS015923077
    • 100485-65-2
    • (1R)-2-Methyl-1-(3-methylphenyl)propan-1-amine--hydrogen chloride (1/1)
    • (R)-2-Methyl-1-(m-tolyl)propan-1-aminehydrochloride
    • (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
    • MDL: MFCD12757113
    • Inchi: 1S/C11H17N.ClH/c1-8(2)11(12)10-6-4-5-9(3)7-10;/h4-8,11H,12H2,1-3H3;1H/t11-;/m1./s1
    • InChI Key: XWKHGSNASSWQFO-RFVHGSKJSA-N
    • SMILES: Cl.N[C@@H](C1C=CC=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 199.1127773g/mol
  • Monoisotopic Mass: 199.1127773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 131
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26?2

(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine Pricemore >>

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Additional information on (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine

Recent Advances in the Study of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine and Its Related Compound 100485-65-2

In recent years, the compound (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine, along with its related chemical entity 100485-65-2, has garnered significant attention in the field of chemical biology and pharmaceutical research. These compounds are of particular interest due to their potential therapeutic applications and unique pharmacological properties. This research brief aims to provide an overview of the latest findings, methodologies, and implications associated with these compounds, drawing from recent academic literature and industry reports.

The compound (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine, often referred to in the literature by its systematic name, has been investigated for its role as a chiral intermediate in the synthesis of various pharmacologically active molecules. Its enantiomeric purity and structural features make it a valuable building block in asymmetric synthesis. Recent studies have explored its utility in the development of novel central nervous system (CNS) agents, particularly those targeting neurotransmitter systems such as dopamine and serotonin.

Meanwhile, the compound with the CAS number 100485-65-2 has been the subject of several preclinical studies, focusing on its pharmacokinetic and pharmacodynamic profiles. A 2023 study published in the Journal of Medicinal Chemistry highlighted its potential as a modulator of specific G-protein-coupled receptors (GPCRs), which are critical targets in the treatment of neurological and psychiatric disorders. The study employed advanced computational modeling and in vitro assays to elucidate the binding affinity and selectivity of 100485-65-2, providing a foundation for further drug development efforts.

One of the key advancements in this area has been the application of cutting-edge spectroscopic techniques, such as nuclear magnetic resonance (NMR) and X-ray crystallography, to characterize the structural properties of these compounds. For instance, a recent paper in ACS Chemical Biology detailed the use of high-resolution NMR to confirm the stereochemical configuration of (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine, resolving ambiguities that had persisted in earlier literature. Such methodological innovations are crucial for ensuring the reproducibility and reliability of research findings.

In addition to their pharmacological potential, these compounds have also been studied for their metabolic stability and toxicity profiles. A 2022 study in Drug Metabolism and Disposition investigated the hepatic metabolism of 100485-65-2 using human liver microsomes, identifying the major metabolic pathways and potential drug-drug interactions. These findings are instrumental in guiding the design of future clinical trials and optimizing dosing regimens.

Looking ahead, the integration of artificial intelligence (AI) and machine learning (ML) in drug discovery is expected to further accelerate research on (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine and 100485-65-2. Recent collaborations between academic institutions and pharmaceutical companies have leveraged AI-driven platforms to predict novel derivatives with enhanced efficacy and reduced side effects. These efforts underscore the dynamic and interdisciplinary nature of contemporary chemical biology research.

In conclusion, the ongoing research on (1R)-2-methyl-1-(3-methylphenyl)propan-1-amine and 100485-65-2 exemplifies the convergence of synthetic chemistry, pharmacology, and computational biology in the pursuit of innovative therapeutics. The insights gained from these studies not only advance our understanding of these specific compounds but also contribute to the broader field of drug discovery and development. Future investigations will likely focus on translational applications, including the design of clinical trials and the exploration of combination therapies.

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