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Structural Analogues of Thyronamines: Some Aspects of the Structure and Bioactivity of 4-[4-(2-Aminoetoxy)benzyl]aniline

Molecular modelling of the structure and evaluation of the chemical shifts of <sup>1</sup>H and <sup>13</sup>C nuclei were performed for the 4-[4-(2-aminoethoxy)benzyl]aniline, which is a structural analogue of thyronamines. The intramolecular dynamics of the key structural fragments of 4-[4-(2-amin...

Ausführliche Beschreibung

Gespeichert in:
Hauptverfasser: Alexander B. Eresko, Elena V. Raksha, Dmitry A. Filimonov, Nadezhda N. Trubnikova, Irina A. Kisilenko, Dorota M. Chudoba
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI AG 2024-11-01
Schriftenreihe:Chemistry Proceedings
Schlagworte:
thyronamines
intramolecular dynamics
conformers
DFT calculations
NMR spectroscopy
chemical shift
Online-Zugang:https://www.mdpi.com/2673-4583/16/1/22
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