Cas no 339055-33-3 (2-Methyl-2-(thiophen-2-yl)propan-1-amine)

2-Methyl-2-(thiophen-2-yl)propan-1-amine is a specialized organic compound featuring a thiophene ring linked to a branched amine structure. This configuration imparts unique reactivity and potential utility in pharmaceutical and agrochemical synthesis. The thiophene moiety enhances electron-rich characteristics, while the sterically hindered amine group offers selectivity in nucleophilic reactions. Its structural rigidity may contribute to stability in various reaction conditions, making it a valuable intermediate for heterocyclic chemistry. The compound’s distinct molecular architecture suggests applications in ligand design or as a building block for bioactive molecules. Proper handling under inert conditions is recommended due to potential amine sensitivity.
2-Methyl-2-(thiophen-2-yl)propan-1-amine structure
339055-33-3 structure
Product Name:2-Methyl-2-(thiophen-2-yl)propan-1-amine
CAS No:339055-33-3
MF:C8H13NS
MW:155.26052069664
MDL:MFCD11898938
CID:302039
Update Time:2025-10-30

2-Methyl-2-(thiophen-2-yl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2-Thiopheneethanamine, b,b-dimethyl-
    • 2-Thiopheneethanamine, -bta-,-bta--dimethyl-
    • 2-methyl-2-(thiophen-2-yl)propan-1-amine
    • GULSTDWKCMPQQZ-UHFFFAOYSA-N
    • NE17924
    • 2-methyl-2-(2-thienyl)-1-propanamine
    • Z1267882023
    • 2-Methyl-2-(thiophen-2-yl)propan-1-amine
    • MDL: MFCD11898938
    • Inchi: 1S/C8H13NS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6,9H2,1-2H3
    • InChI Key: GULSTDWKCMPQQZ-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(C)(C)CN

Computed Properties

  • Exact Mass: 155.077
  • Monoisotopic Mass: 155.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 112
  • 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
  • Topological Polar Surface Area: 54.3

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Additional information on 2-Methyl-2-(thiophen-2-yl)propan-1-amine

Professional Introduction to 2-Methyl-2-(thiophen-2-yl)propan-1-amine (CAS No. 339055-33-3)

2-Methyl-2-(thiophen-2-yl)propan-1-amine, identified by its Chemical Abstracts Service (CAS) number 339055-33-3, is a significant compound in the realm of pharmaceutical chemistry and organic synthesis. This molecule, featuring a thiophene ring substituent and an amine functional group, has garnered attention due to its structural versatility and potential applications in drug discovery. The presence of both aromatic and aliphatic moieties makes it a valuable intermediate for the development of novel bioactive molecules.

The structural framework of 2-methyl-2-(thiophen-2-yl)propan-1-amine consists of a propyl chain with a methyl group at the second carbon, attached to a thiophene ring at the alpha position via an amine linkage. This configuration allows for diverse chemical modifications, enabling researchers to explore its utility in synthesizing complex scaffolds. The thiophene moiety, known for its stability and electronic properties, is particularly relevant in medicinal chemistry due to its role as a pharmacophore in numerous therapeutic agents.

In recent years, there has been growing interest in thiophene-based compounds due to their broad spectrum of biological activities. Studies have demonstrated that molecules incorporating thiophene rings exhibit potential in anti-inflammatory, antimicrobial, and anticancer applications. The amine group in 2-methyl-2-(thiophen-2-yl)propan-1-amine further enhances its pharmacological relevance by facilitating hydrogen bonding interactions with biological targets. This dual functionality makes it an attractive candidate for designing small-molecule inhibitors or modulators.

One of the most compelling aspects of CAS no 339055-33-3 is its role as a building block in the synthesis of more complex derivatives. Researchers have leveraged this compound to develop novel analogs with enhanced binding affinity or altered pharmacokinetic profiles. For instance, modifications at the thiophene ring or the propyl chain can fine-tune the electronic and steric properties of the molecule, thereby optimizing its interaction with biological receptors. Such structural diversification is crucial for advancing drug discovery efforts.

The pharmaceutical industry has increasingly recognized the importance of heterocyclic compounds like thiophene derivatives in drug development. 2-methyl-2-(thiophen-2-yl)propan-1-amine exemplifies how functionalized thiophenes can serve as versatile platforms for creating innovative therapeutic agents. Its incorporation into drug candidates has shown promise in preclinical studies, particularly in targeting enzymes or receptors involved in disease pathways. The compound's ability to cross biological membranes also makes it a suitable candidate for oral or systemic delivery.

Advances in synthetic methodologies have further enhanced the accessibility of CAS no 339055-33-3 for medicinal chemists. Modern techniques such as transition-metal-catalyzed cross-coupling reactions and asymmetric synthesis have enabled efficient construction of complex thiophene-containing molecules. These innovations not only streamline the production process but also allow for greater structural diversity, paving the way for discovering new therapeutic entities.

The intersection of computational chemistry and experimental pharmacology has also played a pivotal role in understanding the potential of 2-methyl-thiophenyl-propanamine derivatives. Molecular modeling studies have helped predict binding modes and interactions between these compounds and their biological targets. Such insights are invaluable for guiding synthetic efforts and optimizing lead structures before moving into costly and time-consuming preclinical testing.

In conclusion, CAS no 339055-33-3, corresponding to 2-methyl-thiophenyl-propanamine, represents a promising scaffold in pharmaceutical research. Its unique structural features—combining an amine group with a thiophene moiety—make it a versatile intermediate for developing novel bioactive molecules. As research continues to uncover new therapeutic applications for thiophene-based compounds, this compound is poised to play an increasingly important role in drug discovery and development pipelines.

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