The present work relates to the design, synthesis and analysis of amine based reagents for enhanced iron ore-gangue separation using the adsorption (or interaction) energy and flotation experiments of minerals with cationic reagent. The novel Polyamine based cationic collector is modelled and synthesised followed by testing in a lab scale Denver flotation machine for their effectiveness towards reverse flotation of aluminosilicate minerals. The adsorption behaviour is assessed in pH media to understand the affinity of amine cationic collector with the SiO4 tetrahedral and AlO6 octahedral surfaces of kaolinite. Computed interaction energies of cationic reagent shows maximum adsorption with gangue minerals (here alumina, silica and kaolinites) than goethite and hematite. The results of theoretical calculations in terms of the prediction of the order of response of kaolinite and goethite minerals to flotation with amine based cationic reagent were found to match remarkably well with the experimental flotation test results. The flotation analysis reflects the adsorption trend and showed excellent selectivity with respect to alumina/silica removal. The adsorption energy and flotation experiment of amine based cationic collectors paved a whole new chapter in the recovery of iron values from iron ore slimes. (C) 2017 Elsevier B.V. All rights reserved.