2-Methoxy-4-(trifluoromethyl)aniline
TL;DR: 2-Methoxy-4-(trifluoromethyl)aniline (CAS 158727-56-1) is a chemical compound with molecular formula C8H8F3NO and molecular weight 191.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-4-(trifluoromethyl)aniline
Also Known As: 2-methoxy-4-(trifluoromethyl)aniline, 4-Amino-3-methoxybenzotrifluoride, 2-Methoxy-4-trifluoromethyl-aniline, Benzenamine, 2-methoxy-4-(trifluoromethyl)-, 7973AA
Technical Specifications
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.0558 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.0558 Da |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
| SMILES | COC1=C(C=CC(=C1)C(F)(F)F)N |
| InChIKey | LWKZYZZCYQWRTJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxy-4-(trifluoromethyl)aniline
Property Insights of 2-Methoxy-4-(trifluoromethyl)aniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 2-Methoxy-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methoxy-4-(trifluoromethyl)aniline?
The CAS number of 2-Methoxy-4-(trifluoromethyl)aniline is 158727-56-1.
What is the molecular formula of 2-Methoxy-4-(trifluoromethyl)aniline?
The molecular formula of 2-Methoxy-4-(trifluoromethyl)aniline is C8H8F3NO.
What is the molecular weight of 2-Methoxy-4-(trifluoromethyl)aniline?
The molecular weight of 2-Methoxy-4-(trifluoromethyl)aniline is 191.0558 g/mol.
Where can I buy 2-Methoxy-4-(trifluoromethyl)aniline?
You can request a quote for 2-Methoxy-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxy-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2-Methoxy-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.