TL;DR: Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride (CAS 67195-42-0) is a chemical compound with molecular formula C18H23Cl2N and molecular weight 323.12076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl-bis[(3-methylphenyl)methyl]azanium chloride
Also Known As: N-(2-Chloroethyl)-m,m'-dimethyldibenzylamine hydrochloride, DIBENZYLAMINE, N-(2-CHLOROETHYL)-m,m'-DIMETHYL-, HYDROCHLORIDE, 2-chloroethyl-bis[(3-methylphenyl)methyl]azanium chloride, Benzenemethanamine, N-(2-chloroethyl)-3-methyl-N-[(3-methylphenyl)methyl]-, hydrochloride
| Molecular Formula | C18H23Cl2N |
| Molecular Weight | 323.12076 g/mol |
| XLogP | 0.13 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12076 Da |
| Heavy Atoms | 21 |
| Complexity | 244.0 |
| SMILES | CC1=CC(=CC=C1)C[NH+](CCCl)CC2=CC=CC(=C2)C.[Cl-] |
| InChIKey | HBWIVNMMJVYOLZ-UHFFFAOYSA-N |
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride is 67195-42-0.
The molecular formula of Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride is C18H23Cl2N.
The molecular weight of Dibenzylamine, N-(2-chloroethyl)-m,m'-dimethyl-, hydrochloride is 323.12076 g/mol.
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