TL;DR: Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride (CAS 14612-92-1) is a chemical compound with molecular formula C16H21BrClN3 and molecular weight 369.06073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride
Also Known As: Hibernon hydrochloride, Bromobenzyl D.P.E. hydrochloride, N-p-Bromobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride, N,N-Dimethyl-N'-(p-bromobenzyl)-N'-(2-pyridyl)ethylenediamine hydrochloride, Pyridine, 2-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-, hydrochloride
| Molecular Formula | C16H21BrClN3 |
| Molecular Weight | 369.06073 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 20.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.06073 Da |
| Heavy Atoms | 21 |
| Complexity | 264.0 |
| SMILES | C[NH+](C)CCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2.[Cl-] |
| InChIKey | ZQJUQBSXMSRMMB-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.6 Ų, Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride is 14612-92-1.
The molecular formula of Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride is C16H21BrClN3.
The molecular weight of Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-, hydrochloride is 369.06073 g/mol.
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