Cas no 51558-17-9 (2-(4-Ethoxyphenyl)propan-1-amine)

2-(4-Ethoxyphenyl)propan-1-amine is a chiral amine derivative featuring an ethoxy-substituted phenyl group and a propylamine backbone. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a building block for bioactive molecules. The ethoxy group enhances solubility and modulates electronic properties, while the amine functionality allows for further derivatization, such as amide formation or reductive amination. Its structural features make it suitable for applications in asymmetric synthesis and drug development, particularly in the design of CNS-active compounds. The compound is typically handled under inert conditions to preserve stability and purity.
2-(4-Ethoxyphenyl)propan-1-amine structure
51558-17-9 structure
Product Name:2-(4-Ethoxyphenyl)propan-1-amine
CAS No:51558-17-9
MF:C11H17NO
MW:179.258783102036
CID:5945568
PubChem ID:43316831
Update Time:2025-05-27

2-(4-Ethoxyphenyl)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(4-ethoxyphenyl)propan-1-amine
    • EN300-1856655
    • 51558-17-9
    • 2-(4-Ethoxyphenyl)propan-1-amine
    • Inchi: 1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)9(2)8-12/h4-7,9H,3,8,12H2,1-2H3
    • InChI Key: BWUGGEFYBPRBJI-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(=CC=1)C(C)CN

Computed Properties

  • Exact Mass: 179.131014166g/mol
  • Monoisotopic Mass: 179.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 130
  • 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: 1.9
  • Topological Polar Surface Area: 35.2?2

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