TL;DR: N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride (CAS 1049716-83-7) is a chemical compound with molecular formula C14H16BrClN2O and molecular weight 342.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
Also Known As: N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride, N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine hydrochloride, 1-(5-bromo-2-methoxy-phenyl)-N-(pyridin-3-ylmethyl)methanamine Hydrochloride
| Molecular Formula | C14H16BrClN2O |
| Molecular Weight | 342.01346 g/mol |
| XLogP | 3.5643 |
| Topological Polar Surface Area (TPSA) | 34.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.01346 Da |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
| SMILES | COC1=C(C=C(C=C1)Br)CNCC2=CN=CC=C2.Cl |
| InChIKey | UJJGJVYCKHSDFQ-UHFFFAOYSA-N |
The XLogP value of 3.5643 indicates that N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.2 Ų, N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride has 2 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 N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride is 1049716-83-7.
The molecular formula of N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride is C14H16BrClN2O.
The molecular weight of N-(5-bromo-2-methoxybenzyl)-1-(pyridin-3-yl)methanamine hydrochloride is 342.01346 g/mol.
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