Cas no 211315-00-3 (2-(4-Tert-butylphenyl)propan-1-amine)

2-(4-Tert-butylphenyl)propan-1-amine is an organic compound featuring a tert-butyl-substituted phenyl group attached to a propan-1-amine backbone. This structure imparts steric hindrance and potential reactivity, making it useful in synthetic chemistry applications, particularly as an intermediate in pharmaceuticals or specialty chemicals. The tert-butyl group enhances stability and may influence solubility and binding properties in target molecules. Its primary amine functionality allows for further derivatization, enabling its incorporation into more complex structures. The compound is typically handled under controlled conditions due to its amine reactivity. Suitable for research and industrial applications requiring tailored aromatic amines with defined steric and electronic properties.
2-(4-Tert-butylphenyl)propan-1-amine structure
211315-00-3 structure
Product Name:2-(4-Tert-butylphenyl)propan-1-amine
CAS No:211315-00-3
MF:C13H21N
MW:191.3125436306
CID:4711012
PubChem ID:10631578
Update Time:2025-06-10

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

Names and Identifiers

    • 2-(4-tert-butylphenyl)propan-1-amine
    • T5234
    • 2-(4-tert-butylphenyl)propan-1-amine hydrochloride
    • 2-(4-Tert-butylphenyl)propan-1-amine
    • Inchi: 1S/C13H21N/c1-10(9-14)11-5-7-12(8-6-11)13(2,3)4/h5-8,10H,9,14H2,1-4H3
    • InChI Key: JRTKZRUOKWPZDA-UHFFFAOYSA-N
    • SMILES: NCC(C)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 161
  • Topological Polar Surface Area: 26

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