TL;DR: (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride (CAS 1052509-44-0) is a chemical compound with molecular formula C16H19ClN2O and molecular weight 290.1186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-prop-2-enoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
Also Known As: (2-ALLYLOXY-BENZYL)-PYRIDIN-3-YLMETHYL-AMINE HYDROCHLORIDE, (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine, {[2-(prop-2-en-1-yloxy)phenyl]methyl}(pyridin-3-ylmethyl)amine hydrochloride, N-[(2-prop-2-enoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride, N-[(2-prop-2-enoxyphenyl)methyl]-1-pyridin-3-ylmethanamine hydrochloride
| Molecular Formula | C16H19ClN2O |
| Molecular Weight | 290.1186 g/mol |
| XLogP | 3.358 |
| Topological Polar Surface Area (TPSA) | 34.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.1186 Da |
| Heavy Atoms | 20 |
| Complexity | 257.0 |
| SMILES | C=CCOC1=CC=CC=C1CNCC2=CN=CC=C2.Cl |
| InChIKey | XUWJLTUKXAHZIY-UHFFFAOYSA-N |
The XLogP value of 3.358 indicates that (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine 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, (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride is 1052509-44-0.
The molecular formula of (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride is C16H19ClN2O.
The molecular weight of (2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride is 290.1186 g/mol.
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