TL;DR: N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride (CAS 1049678-51-4) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.1339 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
Also Known As: N-(3,4-diethoxybenzyl)-2-propen-1-amine hydrochloride, N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine Hydrochloride, N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.1339 g/mol |
| XLogP | 3.1814 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 271.1339 Da |
| Heavy Atoms | 18 |
| Complexity | 208.0 |
| SMILES | CCOC1=C(C=C(C=C1)CNCC=C)OCC.Cl |
| InChIKey | AVRMYFGLUODMDB-UHFFFAOYSA-N |
The XLogP value of 3.1814 indicates that N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;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-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;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-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is 1049678-51-4.
The molecular formula of N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is C14H22ClNO2.
The molecular weight of N-[(3,4-diethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride is 271.1339 g/mol.
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