Respirable coal dust accounts for heart and respiratory diseases of coal miners such as asthma, pneumoconiosis, and black lung disease. What is more, coal dust explosion seriously affects coal mine safety production and coal miners' life safety. Generally, dust suppressants are commonly applied in coal mines. However, current dust suppressants are not working effectively. To develop a better dust suppressant, we attempt to explore the factors affecting the wettability of coal dust under different metamorphic levels from the essence of coal dust wetting mechanism in this paper. Specifically, we use Fourier transform infrared (FTIR) spectroscopy and nuclear magnetic resonance (NMR) to reveal the microstructure of coal from two aspects of functional group and carbon skeleton structure and obtain the micro information of the surface functional group types, quantity, and carbon structure of coal with different degrees of metamorphism, as well as the change rule of functional group of coal sample with coal rank and the law of carbon increase and deoxidization of coal metamorphism. After that, we acquired the structural parameters of coal by the NMR experiments and fitted the quantitative mathematical relationship between the microstructure parameters and wettability of coal through SPSS and ORIGIN software. Finally, this paper constructs an evaluation model for the influencing factors of coal dust wettability, explains the influence degree of different coal dust structure on coal dust wettability, improves the coal dust wettability mechanism, and provides more quantitative research ideas and methods for the control of coal dust.