Cas no 915922-51-9 (N-(3-Methylbenzyl)propan-2-amine Hydrochloride)

N-(3-Methylbenzyl)propan-2-amine Hydrochloride is a synthetic organic compound characterized by its amine functional group and aromatic methylbenzyl moiety. The hydrochloride salt form enhances stability and solubility, making it suitable for various research and pharmaceutical applications. Its structural features, including the isopropylamine chain and substituted benzyl group, contribute to its potential as an intermediate in medicinal chemistry, particularly in the development of bioactive molecules. The compound's purity and well-defined chemical properties ensure consistent performance in synthetic pathways. Its utility lies in its role as a building block for further functionalization, offering researchers a reliable reagent for exploring structure-activity relationships in drug discovery and related fields.
N-(3-Methylbenzyl)propan-2-amine Hydrochloride structure
915922-51-9 structure
Product Name:N-(3-Methylbenzyl)propan-2-amine Hydrochloride
CAS No:915922-51-9
MF:C11H17N
MW:163.259382963181
MDL:MFCD08060640
CID:858980
PubChem ID:18070694
Update Time:2025-08-04

N-(3-Methylbenzyl)propan-2-amine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • N-(3-Methylbenzyl)propan-2-amine
    • N-(3-Methylbenzyl)propan-2-amine hydrochloride
    • N-[(3-methylphenyl)methyl]propan-2-amine
    • N-(3-methylbenzyl)propan-2-amine(SALTDATA: HCl)
    • Isopropyl(3-methylbenzyl)amine
    • AKOS000162742
    • EN300-32100
    • [(3-methylphenyl)methyl](propan-2-yl)amine
    • ISOPROPYL-(3-METHYL-BENZYL)-AMINE
    • MFCD08060640
    • N-(3-Methylphenylmethyl)isopropylamine
    • DTXSID80592498
    • SB76596
    • FT-0683188
    • 915922-51-9
    • SCHEMBL11983546
    • C78583
    • N-(3-Methylbenzyl)propan-2-amine Hydrochloride
    • MDL: MFCD08060640
    • Inchi: 1S/C11H17N/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-7,9,12H,8H2,1-3H3
    • InChI Key: VYALSSNVODXUNL-UHFFFAOYSA-N
    • SMILES: N(CC1C=CC=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 163.13600
  • 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: 120
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 228.2±9.0 °C at 760 mmHg
  • Flash Point: 88.8±10.9 °C
  • PSA: 12.03000
  • LogP: 2.88390
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

N-(3-Methylbenzyl)propan-2-amine Hydrochloride Security Information

N-(3-Methylbenzyl)propan-2-amine Hydrochloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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N-(3-Methylbenzyl)propan-2-amine Hydrochloride Related Literature

Additional information on N-(3-Methylbenzyl)propan-2-amine Hydrochloride

Introduction to N-(3-Methylbenzyl)propan-2-amine Hydrochloride (CAS No. 915922-51-9)

N-(3-Methylbenzyl)propan-2-amine Hydrochloride, a compound with the chemical identifier CAS No. 915922-51-9, is a significant molecule in the field of pharmaceutical chemistry. This compound, characterized by its hydrochloride salt form, has garnered attention due to its potential applications in medicinal chemistry and drug development. The structural uniqueness of N-(3-Methylbenzyl)propan-2-amine Hydrochloride lies in its combination of a benzyl group and an amine moiety, which makes it a versatile intermediate in synthetic chemistry.

The benzyl group, attached to a propyl chain with an amine functional group at the terminal end, contributes to the compound's reactivity and solubility properties. These characteristics make it a valuable building block for the synthesis of more complex molecules. In recent years, there has been a growing interest in exploring the pharmacological properties of such intermediates, particularly in the context of developing new therapeutic agents.

One of the most compelling aspects of N-(3-Methylbenzyl)propan-2-amine Hydrochloride is its role in the synthesis of bioactive molecules. The presence of both aromatic and aliphatic components in its structure allows for diverse chemical modifications, enabling researchers to tailor its properties for specific applications. For instance, the amine group can be readily functionalized through reactions such as acylation, alkylation, or coupling with other pharmacophores, thereby expanding its utility in drug design.

Recent studies have highlighted the importance of amine-containing compounds in medicinal chemistry. These studies suggest that amine derivatives can serve as effective modulators of various biological pathways. Specifically, N-(3-Methylbenzyl)propan-2-amine Hydrochloride has been investigated for its potential role in inhibiting certain enzymes and receptors that are implicated in diseases such as cancer and neurodegenerative disorders. The benzyl moiety, on the other hand, can enhance the lipophilicity of the molecule, making it more suitable for oral administration.

The hydrochloride salt form of this compound improves its stability and solubility, which are critical factors for pharmaceutical applications. This form ensures that the compound remains effective throughout its shelf life and can be easily formulated into various dosage forms. The improved solubility also facilitates its absorption and distribution within the body, which is essential for achieving therapeutic efficacy.

In the realm of drug discovery, N-(3-Methylbenzyl)propan-2-amine Hydrochloride has been used as a starting material for synthesizing more complex molecules with targeted biological activities. Researchers have leveraged its structural features to develop novel compounds that exhibit potent activity against specific disease markers. For example, derivatives of this compound have shown promise in preclinical studies as potential inhibitors of protein-protein interactions involved in cancer progression.

The synthesis of N-(3-Methylbenzyl)propan-2-amine Hydrochloride involves multi-step organic reactions that highlight the expertise required in pharmaceutical chemistry. The process typically begins with the preparation of 3-methylbenzylamine, which is then reacted with propanal to form the desired amine derivative. This intermediate is subsequently converted into its hydrochloride salt to enhance its pharmacological properties. Each step in this synthesis requires careful optimization to ensure high yield and purity.

The use of computational methods has also played a significant role in understanding the behavior of N-(3-Methylbenzyl)propan-2-amine Hydrochloride. Molecular modeling techniques have been employed to predict how this compound interacts with biological targets at the molecular level. These predictions have guided researchers in designing modified versions of the molecule that could enhance its binding affinity and selectivity.

One area where this compound has shown particular promise is in the development of treatments for neurological disorders. Studies indicate that amine derivatives can modulate neurotransmitter systems, making them potential candidates for drugs targeting conditions such as Alzheimer's disease and Parkinson's disease. The unique structure of N-(3-Methylbenzyl)propan-2-amine Hydrochloride allows it to interact with specific receptors and enzymes involved in these pathways.

The future prospects for N-(3-Methylbenzyl)propan-2-amine Hydrochloride are bright, with ongoing research aimed at uncovering new therapeutic applications. As our understanding of biological systems continues to evolve, so too will our ability to harness this compound's potential. Collaborative efforts between synthetic chemists and biologists will be crucial in translating laboratory findings into clinical reality.

In conclusion, N-(3-Methylbenzyl)propan-2-amine Hydrochloride (CAS No. 915922-51-9) represents a significant advancement in pharmaceutical chemistry. Its unique structural features make it a valuable intermediate for synthesizing bioactive molecules with potential therapeutic applications across multiple disease areas. As research progresses, this compound is expected to play an increasingly important role in drug development efforts worldwide.

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