TL;DR: N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride (CAS 121177-60-4) is a chemical compound with molecular formula C14H24N2O2 and molecular weight 252.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,3-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
Also Known As: N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride, [(2,3-dimethoxyphenyl)methyl][3-(dimethylamino)propyl]amine, N1-(2,3-Dimethoxybenzyl)-N3,N3-dimethylpropane-1,3-diamine, N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine, N-[(2,3-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
| Molecular Formula | C14H24N2O2 |
| Molecular Weight | 252.18378 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.18378 Da |
| Heavy Atoms | 18 |
| Complexity | 212.0 |
| SMILES | CN(C)CCCNCC1=C(C(=CC=C1)OC)OC |
| InChIKey | JUTCZTNZSSFDGQ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride. With a topological polar surface area (TPSA) of 33.7 Ų, N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride has 1 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 N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride is 121177-60-4.
The molecular formula of N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride is C14H24N2O2.
The molecular weight of N'-(2,3-dimethoxybenzyl)-N,N-dimethylpropane-1,3-diamine dihydrochloride is 252.18378 g/mol.
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