N-methyl-4-nitro-2-(trifluoromethyl)aniline
TL;DR: N-methyl-4-nitro-2-(trifluoromethyl)aniline (CAS 54672-10-5) is a chemical compound with molecular formula C8H7F3N2O2 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-nitro-2-(trifluoromethyl)aniline
Also Known As: N-methyl-4-nitro-2-(trifluoromethyl)aniline, N-Methyl-4-nitro-2-(trifluoromethyl)benzenamine, METHYL-(4-NITRO-2-TRIFLUOROMETHYL-PHENYL)-AMINE
| Molecular Formula | C8H7F3N2O2 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.6553 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04596 |
| Heavy Atoms | 15 |
| Complexity | 389.96344 |
Chemical Identifiers
| CAS Number | 54672-10-5 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
Product Overview
N-methyl-4-nitro-2-(trifluoromethyl)aniline (CAS 54672-10-5), with molecular formula C8H7F3N2O2 and molecular weight 220.05 g/mol. IUPAC: N-methyl-4-nitro-2-(trifluoromethyl)aniline.
Chemical Property Profile of N-methyl-4-nitro-2-(trifluoromethyl)aniline
Property Insights of N-methyl-4-nitro-2-(trifluoromethyl)aniline
The XLogP value of 2.6553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-nitro-2-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 55.17 Ų, N-methyl-4-nitro-2-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-4-nitro-2-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-methyl-4-nitro-2-(trifluoromethyl)aniline?
The CAS number of N-methyl-4-nitro-2-(trifluoromethyl)aniline is 54672-10-5.
What is the molecular formula of N-methyl-4-nitro-2-(trifluoromethyl)aniline?
The molecular formula of N-methyl-4-nitro-2-(trifluoromethyl)aniline is C8H7F3N2O2.
What is the molecular weight of N-methyl-4-nitro-2-(trifluoromethyl)aniline?
The molecular weight of N-methyl-4-nitro-2-(trifluoromethyl)aniline is 220.05 g/mol.
Where can I buy N-methyl-4-nitro-2-(trifluoromethyl)aniline?
You can request a quote for N-methyl-4-nitro-2-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-nitro-2-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-nitro-2-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.