TL;DR: 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline (CAS 142599-43-7) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline
Also Known As: 2-methoxy-N-(4-methoxybenzyl)-5-nitroaniline, 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline, (2-methoxy-5-nitro-phenyl)-p-anisyl-amine, (4-methoxybenzyl)(2-methoxy-5-nitrophenyl)amine, (2-methoxy-5-nitrophenyl)[(4-methoxyphenyl)methyl]amine
| Molecular Formula | C15H16N2O4 |
| Molecular Weight | 288.111 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.111 Da |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
| SMILES | COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)[N+](=O)[O-])OC |
| InChIKey | XOVQSSJNIYOMAY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline. Following Lipinski's Rule of Five, 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline is 142599-43-7.
The molecular formula of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline is C15H16N2O4.
The molecular weight of 2-methoxy-N-[(4-methoxyphenyl)methyl]-5-nitroaniline is 288.111 g/mol.
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