H, 13 C, DEPT, COSY, NOESY and HETCOR NMR spectra of 3-phenylpropylamine (3-PPA) have been reported in chloroform-d, dichloromethane-d, methanol-d, dimethylsulfoxide-d and acetone-d. Solvent effects on nuclear magnetic shielding and spinespin coupling constants have been investigated. Molecular geometry and 1 H, 13 C NMR chemical shifts of 3-PPA (C 9 H 13 N) have been calculated by means of the HartreeeFock (HF), BeckeeLeeeYangeParr (BLYP) and Becke-3eLeeeYangeParr (B3LYP) density functional methods with 6-311þþG(d,p) basis set, respectively. The optimized structural parameters (bond lengths, bond and dihedral angles) of 3-PPA have been calculated with HF, BLYP and B3LYP at 6-311þþG(d,p) level in the solvents used in this study. To cite this article: M.