Cas no 212968-68-8 ((1S)-1-(4-propylphenyl)ethan-1-amine)

(1S)-1-(4-Propylphenyl)ethan-1-amine is a chiral amine compound featuring a propyl-substituted phenyl group and an ethylamine moiety in the (S)-configuration. This structurally distinct molecule is of interest in pharmaceutical and agrochemical research due to its potential as a building block for enantioselective synthesis. Its chiral center enables applications in asymmetric catalysis and the development of optically active intermediates. The propylphenyl group contributes to lipophilicity, influencing solubility and binding properties in biological systems. The compound’s well-defined stereochemistry ensures reproducibility in synthetic pathways, making it valuable for rigorous R&D applications. Proper handling and storage under inert conditions are recommended to maintain stability.
(1S)-1-(4-propylphenyl)ethan-1-amine structure
212968-68-8 structure
Product Name:(1S)-1-(4-propylphenyl)ethan-1-amine
CAS No:212968-68-8
MF:C11H17N
MW:163.259382963181
MDL:MFCD06761948
CID:252913
PubChem ID:7047688
Update Time:2025-06-19

(1S)-1-(4-propylphenyl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,a-methyl-4-propyl-, (aS)-
    • BENZENEMETHANAMINE, Α-METHYL-4-PROPYL-, (ΑS)-
    • EN300-87906
    • (AlphaS)-alpha-methyl-4-propylbenzenemethanamine
    • SCHEMBL7043601
    • (S)-1-(4-propylphenyl)ethan-1-amine
    • (1S)-1-(4-propylphenyl)ethanamine
    • (S)-4-Propyl-alpha-methylbenzylamine
    • Benzenemethanamine, -methyl-4-propyl-, (S)-
    • Benzenemethanamine, alpha-methyl-4-propyl-, (alphaS)-
    • Benzenemethanamine,a-methyl-4-propyl-,(aS)-
    • (1S)-1-(4-propylphenyl)ethan-1-amine
    • 212968-68-8
    • DTXSID801275056
    • CS-0000324
    • MDL: MFCD06761948
    • Inchi: 1S/C11H17N/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-9H,3-4,12H2,1-2H3/t9-/m0/s1
    • InChI Key: JJHHWCQQAOZVKQ-VIFPVBQESA-N
    • SMILES: N[C@@H](C)C1C=CC(=CC=1)CCC

Computed Properties

  • Exact Mass: 163.136099547g/mol
  • Monoisotopic Mass: 163.136099547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 114
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 26?2

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Additional information on (1S)-1-(4-propylphenyl)ethan-1-amine

Introduction to (1S)-1-(4-propylphenyl)ethan-1-amine and Its Significance in Modern Chemical Research

(1S)-1-(4-propylphenyl)ethan-1-amine, identified by its CAS number 212968-68-8, is a compound of significant interest in the field of chemical and pharmaceutical research. This molecule, belonging to the amine class, has garnered attention due to its unique structural properties and potential applications in various scientific domains. The precise stereochemistry of this compound, as indicated by the (1S) configuration, plays a crucial role in its interaction with biological systems, making it a valuable subject of study for researchers aiming to develop novel therapeutic agents.

The chemical structure of (1S)-1-(4-propylphenyl)ethan-1-amine consists of a phenyl ring substituted with a propyl group at the para position and an amine functional group attached to the ethyl chain. This arrangement contributes to its distinct physical and chemical properties, which are essential for understanding its behavior in different environments. The presence of the stereocenter at the chiral carbon atom enhances its complexity and makes it a promising candidate for exploring the relationship between molecular structure and biological activity.

In recent years, there has been growing interest in the development of chiral drugs due to their improved efficacy and reduced side effects compared to their racemic counterparts. (1S)-1-(4-propylphenyl)ethan-1-amine exemplifies this trend, as its enantiomeric purity is critical for achieving the desired pharmacological effects. Advanced synthetic methodologies have been employed to produce this compound with high enantiomeric excess, ensuring that its biological activity is maximized while minimizing unwanted interactions.

The pharmaceutical industry has been actively exploring the potential of (1S)-1-(4-propylphenyl)ethan-1-amine in the development of new medications. Its amine group provides a versatile scaffold for further functionalization, allowing chemists to design molecules with specific biological targets. For instance, modifications at the propyl substituent can alter the compound's solubility and metabolic stability, while changes to the phenyl ring can enhance binding affinity to biological receptors. These modifications are essential for optimizing drug candidates for clinical use.

Recent studies have highlighted the role of (1S)-1-(4-propylphenyl)ethan-1-amine in investigating enzyme inhibition and receptor binding mechanisms. Its structural features make it an ideal candidate for studying how small molecules interact with biological targets at the molecular level. By understanding these interactions, researchers can gain insights into disease mechanisms and develop more effective therapeutic strategies. The compound's ability to modulate enzymatic activity has also been explored in the context of metabolic disorders, where precise control over molecular interactions is crucial.

The synthesis of (1S)-1-(4-propylphenyl)ethan-1-amine involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Techniques such as asymmetric synthesis and chiral auxiliary methods have been employed to achieve the desired stereochemical configuration. These synthetic approaches not only highlight the advancements in chemical methodology but also underscore the importance of precision in molecular construction for pharmaceutical applications.

As research continues to evolve, (1S)-1-(4-propylphenyl)ethan-1-amine is expected to play a pivotal role in drug discovery and development. Its unique properties make it a versatile building block for designing novel therapeutics targeting various diseases. The ongoing exploration of its pharmacological potential underscores its significance in modern chemical research and pharmaceutical innovation.

The future prospects of (1S)-1-(4-propylphenyl)ethan-1-amine are promising, with researchers delving deeper into its biological activities and potential therapeutic applications. Collaborative efforts between chemists, biologists, and pharmacologists are essential for unlocking its full potential and translating laboratory findings into clinical benefits. As our understanding of molecular interactions continues to grow, compounds like (1S)-1-(4-propylphenyl)ethan-1-amine will undoubtedly contribute significantly to advancements in medicine.

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