TL;DR: N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride (CAS 1050418-97-7) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2-ethoxy-3-methoxyphenyl)methyl]cycloheptanamine;hydrochloride
Also Known As: N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride, N-[(2-ethoxy-3-methoxy-phenyl)methyl]cycloheptanamine Hydrochloride, N-[(2-ethoxy-3-methoxyphenyl)methyl]cycloheptanamine hydrochloride
| Molecular Formula | C17H28ClNO2 |
| Molecular Weight | 313.18085 g/mol |
| XLogP | 4.3281 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.18085 Da |
| Heavy Atoms | 21 |
| Complexity | 251.0 |
| SMILES | CCOC1=C(C=CC=C1OC)CNC2CCCCCC2.Cl |
| InChIKey | SWKDXZYLYZVJQY-UHFFFAOYSA-N |
The XLogP value of 4.3281 indicates that N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine 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-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride is 1050418-97-7.
The molecular formula of N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride is C17H28ClNO2.
The molecular weight of N-(2-ethoxy-3-methoxybenzyl)cycloheptanamine hydrochloride is 313.18085 g/mol.
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