N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline
TL;DR: N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline (CAS 150493-77-9) is a chemical compound with molecular formula C15H13F3N2O3 and molecular weight 326.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-methoxyphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline
Also Known As: N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline, 3-Amino-1,2-propandithiol, N-[(4-methoxyphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline, AB00982584-01, (4-methoxybenzyl)[2-nitro-4-(trifluoromethyl)phenyl]amine
Technical Specifications
| Molecular Formula | C15H13F3N2O3 |
| Molecular Weight | 326.08783 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08783 Da |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
| SMILES | COC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | MXXVLZZQGGRYOL-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline
Property Insights of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline
The XLogP value of 4.6 indicates that N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline?
The CAS number of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline is 150493-77-9.
What is the molecular formula of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline is C15H13F3N2O3.
What is the molecular weight of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline is 326.08783 g/mol.
Where can I buy N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for N-(4-Methoxybenzyl)-2-nitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.