Cas no 91553-11-6 (1-(4-butoxyphenyl)ethan-1-amine)

1-(4-Butoxyphenyl)ethan-1-amine is a secondary amine derivative featuring a butoxy-substituted phenyl group. This compound is of interest in organic synthesis and pharmaceutical research due to its structural versatility, serving as a potential intermediate for the development of bioactive molecules. The butoxy moiety enhances lipophilicity, which may improve membrane permeability in drug design applications. Its amine functionality allows for further derivatization, enabling the formation of amides, imines, or other nitrogen-containing compounds. The compound exhibits moderate stability under standard conditions, making it suitable for controlled reactions. Analytical characterization is typically performed via NMR, HPLC, or mass spectrometry to ensure purity and structural confirmation.
1-(4-butoxyphenyl)ethan-1-amine structure
91553-11-6 structure
Product Name:1-(4-butoxyphenyl)ethan-1-amine
CAS No:91553-11-6
MF:C12H19NO
MW:193.285363435745
CID:811216
PubChem ID:56263
Update Time:2025-08-03

1-(4-butoxyphenyl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,4-butoxy-a-methyl-
    • 1-(4-butoxyphenyl)ethanamine
    • BENZYLAMINE, p-BUTOXY-alpha-METHYL-
    • 91553-11-6
    • DTXSID20919660
    • 1-(4-Butoxyphenyl)ethan-1-amine
    • Benzylamine, p-butoxy-.alpha.-methyl-
    • AKOS000136575
    • p-Butoxy-.alpha.-methylbenzylamine
    • LS-43245
    • EU-0066630
    • p-Butoxy-alpha-methylbenzylamine
    • EN300-1688987
    • CCG-202938
    • BRN 2803677
    • CS-0236101
    • 1-(4-butoxyphenyl)ethan-1-amine
    • Inchi: 1S/C12H19NO/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8,10H,3-4,9,13H2,1-2H3
    • InChI Key: ANOJLHQGMTVKNE-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)C(C)N)CCCC

Computed Properties

  • Exact Mass: 193.146664230g/mol
  • Monoisotopic Mass: 193.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 141
  • 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: 2.4
  • Topological Polar Surface Area: 35.2?2

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Additional information on 1-(4-butoxyphenyl)ethan-1-amine

Research Brief on 1-(4-butoxyphenyl)ethan-1-amine (CAS: 91553-11-6): Recent Advances and Applications in Chemical Biology and Medicine

1-(4-butoxyphenyl)ethan-1-amine (CAS: 91553-11-6) is a chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This research brief aims to provide an overview of the latest studies and developments related to this compound, focusing on its synthesis, biological activity, and therapeutic potential. The compound's unique structure, featuring a butoxyphenyl group linked to an ethanamine moiety, makes it a promising candidate for various biomedical applications, including drug discovery and development.

Recent studies have explored the synthesis and optimization of 1-(4-butoxyphenyl)ethan-1-amine, with a focus on improving yield and purity. Advanced synthetic methodologies, such as catalytic hydrogenation and microwave-assisted synthesis, have been employed to achieve high-efficiency production. These advancements are critical for scaling up production and ensuring the compound's availability for further research and potential clinical applications. Additionally, researchers have investigated the compound's physicochemical properties, including solubility, stability, and bioavailability, which are essential for its development as a pharmaceutical agent.

In the realm of biological activity, 1-(4-butoxyphenyl)ethan-1-amine has shown promise as a modulator of various biochemical pathways. Preliminary in vitro studies suggest that the compound may interact with neurotransmitter systems, particularly those involving dopamine and serotonin receptors. This interaction has sparked interest in its potential use as a therapeutic agent for neurological and psychiatric disorders, such as depression and anxiety. Furthermore, the compound's ability to cross the blood-brain barrier enhances its suitability for central nervous system (CNS)-targeted therapies.

Another area of research has focused on the compound's potential anti-inflammatory and analgesic properties. In vivo studies using animal models have demonstrated that 1-(4-butoxyphenyl)ethan-1-amine can reduce inflammation and pain responses, possibly through the inhibition of cyclooxygenase (COX) enzymes. These findings suggest that the compound could be developed as a novel non-steroidal anti-inflammatory drug (NSAID) with fewer side effects compared to existing treatments. However, further studies are needed to elucidate the exact mechanisms of action and to assess its safety profile in humans.

In addition to its therapeutic potential, 1-(4-butoxyphenyl)ethan-1-amine has been investigated for its role in chemical biology as a tool compound. Its ability to selectively bind to certain proteins and receptors makes it a valuable probe for studying biological processes and identifying new drug targets. For example, researchers have used the compound to explore the structure-activity relationships (SAR) of related molecules, providing insights into the design of more potent and selective drugs.

Despite these promising findings, several challenges remain in the development of 1-(4-butoxyphenyl)ethan-1-amine as a therapeutic agent. Issues such as metabolic stability, potential toxicity, and formulation optimization need to be addressed through comprehensive preclinical and clinical studies. Collaborative efforts between academia and industry will be crucial to overcoming these hurdles and advancing the compound toward clinical applications.

In conclusion, 1-(4-butoxyphenyl)ethan-1-amine (CAS: 91553-11-6) represents a versatile and promising compound in the fields of chemical biology and medicine. Recent research has highlighted its potential as a therapeutic agent for neurological and inflammatory disorders, as well as its utility as a tool compound in drug discovery. Continued investigation and development are essential to fully realize its potential and bring it closer to clinical use. This research brief underscores the importance of ongoing studies and collaborations to advance our understanding and application of this intriguing molecule.

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