TL;DR: 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- (CAS 101931-28-6) is a chemical compound with molecular formula C15H18IN and molecular weight 339.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-2-iodo-N-(naphthalen-1-ylmethyl)ethanamine
Also Known As: N-(2-Iodoethyl)-N-ethylnaphthalene-1-methylamine, 1-NAPHTHALENEMETHYLAMINE, N-(2-IODOETHYL)-N-ETHYL-, 4-12-00-03194 (Beilstein Handbook Reference), ethyl(2-iodoethyl)[(naphthalen-1-yl)methyl]amine, N-(2-Iodoethyl)-N-ethyl-1-naphthalenemethanamine
| Molecular Formula | C15H18IN |
| Molecular Weight | 339.0484 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.0484 Da |
| Heavy Atoms | 17 |
| Complexity | 219.0 |
| SMILES | CCN(CCI)CC1=CC=CC2=CC=CC=C21 |
| InChIKey | HGUXZHVJYFLHBK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- is 101931-28-6.
The molecular formula of 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- is C15H18IN.
The molecular weight of 1-Naphthalenemethylamine, N-(2-iodoethyl)-N-ethyl- is 339.0484 g/mol.
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