TL;DR: N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine (CAS 79611-51-1) is a chemical compound with molecular formula C13H22N2 and molecular weight 206.1783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-diethyl-N-(2-methylphenyl)ethane-1,2-diamine
Also Known As: N,N-Diethyl-N'-(o-tolyl)ethylenediamine, ETHYLENEDIAMINE, N,N-DIETHYL-N'-(o-TOLYL)-, 1332 F, N,N-Diethyl-N'-(o-tolyl)ethane-1,2-diamine, 1,2-Ethanediamine, N,N-diethyl-N'-(2-methylphenyl)-
| Molecular Formula | C13H22N2 |
| Molecular Weight | 206.1783 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.1783 Da |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
| SMILES | CCN(CC)CCNC1=CC=CC=C1C |
| InChIKey | LSRBLTAIHHJVFI-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine. With a topological polar surface area (TPSA) of 15.3 Ų, N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine is 79611-51-1.
The molecular formula of N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine is C13H22N2.
The molecular weight of N1,N1-Diethyl-N2-(2-methylphenyl)-1,2-ethanediamine is 206.1783 g/mol.
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