Adsorption of problematic copper ions as one of the endocrine disruptive substances from aqueous solution onto nanoscale zerovalent iron (nZVI) was studied. The high pore size 186.9268 Å, pore diameter 240.753 Å, and BET surface area 20.8643 m2 g−1 and pH(pzc) enlisted nZVI as an efficient nano-adsorbent for treatment of heavy metals from synthetic wastewater. SEM and EDX revealed the morphology and elemental distribution before and after adsorption. 98.31% removal efficiency was achieved at optimum adsorption operational parameters. Of all the thirteen isotherm models, equilibrium data were well fitted to Langmuir. Kinetics and mechanism data across the concentrations from 10 to 200 mg L−1 were analyzed by ten models. PSO best described kinetics data as confirmed by various statistical error validity models. The intraparticle diffusion model described that the intraparticle diffusion was not the only rate-limiting step. The adsorption mechanism was diffusion governed established by Bangham and Boyd models. Feasible, spontaneous, endothermic, and degree of randomness were reveal by the thermodynamic studies. Better desorption index and efficiency were obtained using HCl suggesting multiple mechanism processes. The performance of ZVI suggested it has a great potential for effective removal of endocrine disruptive cationic contaminant from wastewater.