Cas no 869942-29-0 (N-((3-Methylthiophen-2-yl)methyl)butan-2-amine)

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine is a synthetic amine derivative featuring a thiophene ring substituted with a methyl group at the 3-position and a butan-2-amine moiety. This compound is of interest in organic and medicinal chemistry due to its structural hybridity, combining a heterocyclic aromatic system with an aliphatic amine chain. Such a configuration may enhance binding affinity in receptor interactions or serve as a versatile intermediate in pharmaceutical synthesis. Its well-defined molecular structure allows for precise modifications, making it valuable for research in drug discovery and material science. The compound's stability and synthetic accessibility further contribute to its utility in exploratory chemistry applications.
N-((3-Methylthiophen-2-yl)methyl)butan-2-amine structure
869942-29-0 structure
Product Name:N-((3-Methylthiophen-2-yl)methyl)butan-2-amine
CAS No:869942-29-0
MF:C10H17NS
MW:183.313681364059
MDL:MFCD04578645
CID:870471
PubChem ID:4717078
Update Time:2025-05-19

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine Chemical and Physical Properties

Names and Identifiers

    • N-((3-Methylthiophen-2-yl)methyl)butan-2-amine
    • N-[(3-methyl-2-thienyl)methyl]-2-butanamine(SALTDATA: HCl)
    • N-[(3-methylthiophen-2-yl)methyl]butan-2-amine
    • DTXSID80405897
    • MFCD04578645
    • AKOS000228176
    • N-[(3-METHYL-2-THIENYL)METHYL]-2-BUTANAMINE
    • AKOS017269203
    • (butan-2-yl)[(3-methylthiophen-2-yl)methyl]amine
    • CHEMBRDG-BB 9071695
    • 869942-29-0
    • MDL: MFCD04578645
    • Inchi: 1S/C10H17NS/c1-4-9(3)11-7-10-8(2)5-6-12-10/h5-6,9,11H,4,7H2,1-3H3
    • InChI Key: NUDFKGPGTCEWRP-UHFFFAOYSA-N
    • SMILES: S1C=CC(C)=C1CNC(C)CC

Computed Properties

  • Exact Mass: 183.10800
  • Monoisotopic Mass: 183.10817072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 40.3?2

Experimental Properties

  • Density: 0.981
  • Boiling Point: 247.6°C at 760 mmHg
  • Flash Point: 103.6°C
  • Refractive Index: 1.516
  • PSA: 40.27000
  • LogP: 3.33550

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine Pricemore >>

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Additional information on N-((3-Methylthiophen-2-yl)methyl)butan-2-amine

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine: A Comprehensive Overview

N-((3-Methylthiophen-2-yl)methyl)butan-2-amine, with the CAS number 869942-29-0, is a compound of significant interest in the field of pharmaceutical chemistry. This molecule, characterized by its unique structural features, has garnered attention due to its potential applications in drug development and medicinal chemistry. The presence of a 3-methylthiophen-2-yl moiety in its structure suggests a possible role in modulating biological pathways, making it a valuable candidate for further investigation.

The compound's structure consists of a butan-2-amine backbone substituted with a 3-methylthiophen-2-yl group. This arrangement not only imparts distinct chemical properties but also opens up avenues for exploring its pharmacological effects. The thiophene ring, a common feature in many bioactive molecules, is known for its ability to interact with various biological targets, including enzymes and receptors. The methyl substitution on the thiophene ring further enhances its reactivity and potential biological activity.

In recent years, there has been growing interest in the development of novel therapeutic agents derived from heterocyclic compounds. The N-((3-methylthiophen-2-yl)methyl)butan-2-amine structure aligns well with this trend, as it combines the advantages of both aliphatic and aromatic moieties. This dual nature makes it a promising candidate for designing molecules with enhanced binding affinity and selectivity.

One of the most exciting aspects of this compound is its potential in the field of drug discovery. The 3-methylthiophen-2-yl group can serve as a scaffold for further derivatization, allowing chemists to tailor the molecule's properties to specific therapeutic needs. For instance, modifications at the amine end of the molecule could enhance its solubility or improve its ability to cross biological membranes. Such flexibility is crucial for developing effective pharmaceuticals.

Recent studies have begun to explore the pharmacological profile of related compounds containing the 3-methylthiophen-2-yl moiety. These investigations have revealed promising results in terms of anti-inflammatory, analgesic, and even anticancer activities. While more research is needed to fully understand the effects of N-((3-methylthiophen-2-yl)methyl)butan-2-amine, these findings suggest that it could be a valuable addition to the pharmacopeia.

The synthesis of this compound also presents an interesting challenge for organic chemists. The presence of multiple functional groups requires careful planning to ensure high yield and purity. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have been employed to construct the desired structure efficiently. These methods not only improve the feasibility of producing N-((3-methylthiophen-2-yl)methyl)butan-2-amine but also pave the way for synthesizing more complex derivatives.

In conclusion, N-((3-methylthiophen-2-yl)methyl)butan-2-amine represents a fascinating molecule with significant potential in pharmaceutical research. Its unique structural features and promising pharmacological properties make it an attractive candidate for further exploration. As our understanding of its behavior continues to grow, so too will its applications in medicine and drug development. The journey from laboratory discovery to clinical application is long and complex, but compounds like this one offer hope for innovative treatments in the future.

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