TL;DR: Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- (CAS 106808-66-6) is a chemical compound with molecular formula C15H15Cl2N3O2 and molecular weight 339.05414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-N-[[4-(dimethylamino)-3-nitrophenyl]methyl]aniline
Also Known As: Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro-, N-(2,6-Dichlorophenyl)-3-nitro-4-N,N-dimethylaminobenzylamine, N-(2,6-Dichlorophenyl)-4-(dimethylamino)-3-nitrobenzenemethanamine, 2,6-dichloro-N-[[4-(dimethylamino)-3-nitrophenyl]methyl]aniline, 4-[(2,6-Dichloroanilino)methyl]-N,N-dimethyl-2-nitroaniline
| Molecular Formula | C15H15Cl2N3O2 |
| Molecular Weight | 339.05414 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.05414 Da |
| Heavy Atoms | 22 |
| Complexity | 368.0 |
| SMILES | CN(C)C1=C(C=C(C=C1)CNC2=C(C=CC=C2Cl)Cl)[N+](=O)[O-] |
| InChIKey | FZBMIPMDYZGRBQ-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro-. Following Lipinski's Rule of Five, Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- 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 Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- is 106808-66-6.
The molecular formula of Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- is C15H15Cl2N3O2.
The molecular weight of Benzenemethanamine, N-(2,6-dichlorophenyl)-4-(dimethylamino)-3-nitro- is 339.05414 g/mol.
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