TL;DR: Ethanamine, 2,2-dichloro-N-methyl- (CAS 16521-25-8) is a chemical compound with molecular formula C3H7Cl2N and molecular weight 126.99555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloro-N-methylethanamine
Also Known As: (2,2-dichloroethyl)(methyl)amine, Ethanamine, 2,2-dichloro-N-methyl-, 2,2-dichloro-N-methylethanamine, methyl (dichloroethyl)amine, 2,2-dichloro-N-methyl-ethanamine
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H7Cl2N |
| Molecular Weight | 126.99555 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.99555 Da |
| Heavy Atoms | 6 |
| Complexity | 30.0 |
| SMILES | CNCC(Cl)Cl |
| InChIKey | GXMBXAFPYICUDZ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, 2,2-dichloro-N-methyl-. With a topological polar surface area (TPSA) of 12.0 Ų, Ethanamine, 2,2-dichloro-N-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanamine, 2,2-dichloro-N-methyl- 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 Ethanamine, 2,2-dichloro-N-methyl- is 16521-25-8.
The molecular formula of Ethanamine, 2,2-dichloro-N-methyl- is C3H7Cl2N.
The molecular weight of Ethanamine, 2,2-dichloro-N-methyl- is 126.99555 g/mol.
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