TL;DR: Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- (CAS 100427-83-6) is a chemical compound with molecular formula C11H15ClIN and molecular weight 322.99377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-chlorophenyl)methyl]-N-ethyl-2-iodoethanamine
Also Known As: p-Chloro-N-ethyl-N-(2-iodoethyl)benzylamine, BENZYLAMINE, p-CHLORO-N-ETHYL-N-(2-IODOETHYL)-, n-(4-chlorobenzyl)-n-ethyl-2-iodoethanamine, N-[(4-chlorophenyl)methyl]-N-ethyl-2-iodoethanamine, 4-Chloro-N-ethyl-N-(2-iodoethyl)benzenemethanamine
| Molecular Formula | C11H15ClIN |
| Molecular Weight | 322.99377 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.99377 Da |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
| SMILES | CCN(CCI)CC1=CC=C(C=C1)Cl |
| InChIKey | YGGWIMXHQMJMIX-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- 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 Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- is 100427-83-6.
The molecular formula of Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- is C11H15ClIN.
The molecular weight of Benzylamine, p-chloro-N-ethyl-N-(2-iodoethyl)- is 322.99377 g/mol.
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