The N-(2-Methoxybenzyl)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminoethane (NBOMe-2C-I or 25I-NBOMe), with the CAS registry number 1043868-97-8, is also known as N-(2-Methoxybenzyl)-2-(2,5-dimethoxy-4-iodophenyl)ethanamine HCl. This chemical's molecular formula is C₁₈H₂₃ClINO₃ and molecular weight is 463.74. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
hydrochloride.

Computed properties about N-(2-Methoxybenzyl)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminoethane (NBOMe-2C-I or 25I-NBOMe) are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 8; (4)Exact Mass: 463.041114; (5)MonoIsotopic Mass: 463.041114; (6)Topological Polar Surface Area: 39.7; (7)Heavy Atom Count: 24; (8)Formal Charge: 0; (9)Complexity: 331; (10)Isotope Atom Count: 0; (11)Defined Atom Stereocenter Count: 0; (12)Undefined Atom Stereocenter Count: 0; (13)Defined Bond Stereocenter Count: 0; (14)Undefined Bond Stereocenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccccc1CNCCc2cc(c(cc2OC)I)OC.Cl
(2) InChI: InChI=1S/C18H22INO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
(3) InChIKey: IPBBLNVKGLDTML-UHFFFAOYSA-N