Cas no 137379-61-4 (N-(4-fluorobenzyl)-2-propanamine hydrochloride)

N-(4-fluorobenzyl)-2-propanamine hydrochloride is a fluorinated organic compound featuring a benzylamine scaffold with an isopropyl substituent. The inclusion of a fluorine atom at the para position of the benzyl ring enhances its electronic properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The hydrochloride salt form improves stability and solubility, facilitating handling and storage. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules due to its structural versatility and potential for further functionalization. Its well-defined synthesis route ensures consistent purity, making it suitable for research and industrial applications requiring precise chemical modifications.
N-(4-fluorobenzyl)-2-propanamine hydrochloride structure
137379-61-4 structure
Product Name:N-(4-fluorobenzyl)-2-propanamine hydrochloride
CAS No:137379-61-4
MF:C10H14FN
MW:167.223266124725
MDL:MFCD00716884
CID:858581
PubChem ID:3746538
Update Time:2025-06-15

N-(4-fluorobenzyl)-2-propanamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • N-(4-Fluorobenzyl)propan-2-amine
    • N-[(4-fluorophenyl)methyl]propan-2-amine
    • (4-FLUOROBENZYL)ISOPROPYLAMINE
    • (4-fluorobenzyl)isopropylamine(SALTDATA: HCl)
    • AC1MWBG7
    • AG-D-75998
    • CTK4C0772
    • MolPort-000-868-084
    • SureCN105263
    • DTXSID40395861
    • (4-FLUORO-BENZYL)-ISOPROPYL-AMINE
    • 137379-61-4
    • N-(4-Fluorophenylmethyl)isopropylamine
    • SCHEMBL105263
    • Z86129862
    • Benzenemethanamine, 4-fluoro-N-(1-methylethyl)-
    • MFCD00716884
    • [(4-FLUOROPHENYL)METHYL](ISOPROPYL)AMINE
    • AKOS000148512
    • DB-289948
    • EN300-32099
    • 4-fluoro-n-isopropylbenzylamine
    • C77883
    • (4-Fluoro-benzyl)isopropyl-amine
    • p-fluorobenzyl(isopropyl)amine
    • [(4-fluorophenyl)methyl](propan-2-yl)amine
    • N-(4-fluorobenzyl)-2-propanamine hydrochloride
    • MDL: MFCD00716884
    • Inchi: 1S/C10H14FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
    • InChI Key: IDZSJVHMHRLKIU-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CNC(C)C

Computed Properties

  • Exact Mass: 167.11100
  • Monoisotopic Mass: 167.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 117
  • 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: 2.4
  • Topological Polar Surface Area: 12A^2

Experimental Properties

  • Density: 0.991
  • Boiling Point: 211.6°C at 760 mmHg
  • Flash Point: 81.8°C
  • Refractive Index: 1.488
  • PSA: 12.03000
  • LogP: 2.71460
  • Vapor Pressure: 0.2±0.4 mmHg at 25°C

N-(4-fluorobenzyl)-2-propanamine hydrochloride Security Information

N-(4-fluorobenzyl)-2-propanamine 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%

N-(4-fluorobenzyl)-2-propanamine hydrochloride Pricemore >>

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Additional information on N-(4-fluorobenzyl)-2-propanamine hydrochloride

Comprehensive Overview of N-(4-fluorobenzyl)-2-propanamine hydrochloride (CAS No. 137379-61-4): Properties, Applications, and Research Insights

N-(4-fluorobenzyl)-2-propanamine hydrochloride (CAS No. 137379-61-4) is a fluorinated organic compound with significant relevance in pharmaceutical and chemical research. This hydrochloride salt derivative of 2-propanamine features a 4-fluorobenzyl group, which enhances its biochemical interactions and stability. The compound's unique structure makes it a subject of interest for researchers exploring central nervous system (CNS) targeting molecules, enzyme modulation, and receptor-binding studies.

In recent years, the demand for fluorinated compounds has surged due to their applications in drug discovery and material science. The 4-fluorobenzyl moiety in N-(4-fluorobenzyl)-2-propanamine hydrochloride is particularly noteworthy, as fluorine atoms often improve metabolic stability and bioavailability. This aligns with current trends in precision medicine and small-molecule therapeutics, where researchers prioritize compounds with optimized pharmacokinetic profiles.

The synthesis of N-(4-fluorobenzyl)-2-propanamine hydrochloride typically involves the reaction of 4-fluorobenzyl chloride with 2-propanamine, followed by hydrochloric acid treatment to yield the hydrochloride salt. This process is scalable and compatible with green chemistry principles, a growing focus in industrial applications. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are employed to verify purity and structural integrity, ensuring compliance with Good Manufacturing Practices (GMP).

One of the most searched questions about this compound revolves around its potential biological activity. Preliminary studies suggest that N-(4-fluorobenzyl)-2-propanamine hydrochloride may interact with neurotransmitter transporters, though further in vivo and in vitro validation is required. This aligns with broader interest in neuropharmacology and psychoactive compounds, as evidenced by rising searches for terms like "fluorinated amines in CNS research" and "structure-activity relationships of benzylamines."

From a commercial perspective, CAS No. 137379-61-4 is available through specialized chemical suppliers, often labeled as a research-grade reagent. Its storage requires protection from moisture and light, with recommended conditions at 2–8°C in airtight containers. These precautions are critical for maintaining stability, a topic frequently queried in laboratory forums and chemical databases.

Innovations in computational chemistry have also spurred interest in this compound. Molecular docking simulations predict favorable binding affinities for certain G-protein-coupled receptors (GPCRs), making it a candidate for virtual screening libraries. Such applications tie into the broader trend of AI-driven drug discovery, where users frequently search for "fluorinated scaffolds in silico modeling."

In summary, N-(4-fluorobenzyl)-2-propanamine hydrochloride exemplifies the intersection of medicinal chemistry and material science. Its fluorine-enhanced properties, coupled with scalable synthesis, position it as a valuable tool for researchers addressing challenges in drug development and molecular design. As scientific inquiries evolve, this compound will likely remain a focal point for studies leveraging halogen-bonding interactions and bioisosteric replacement strategies.

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