2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline
TL;DR: 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline (CAS 217191-48-5) is a chemical compound with molecular formula C15H13F3N2O2 and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline
Also Known As: Maybridge1_000670, 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline, [2-nitro-4-(trifluoromethyl)phenyl](phenylethyl)amine, (2-Nitro-4-trifluoromethyl-phenyl)-(1-phenyl-ethyl)-amine
| Molecular Formula | C15H13F3N2O2 |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 4.7867 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.09293 |
| Heavy Atoms | 22 |
| Complexity | 672.2329 |
Chemical Identifiers
| CAS Number | 217191-48-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline (CAS 217191-48-5), with molecular formula C15H13F3N2O2 and molecular weight 310.09 g/mol. IUPAC: 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline
Property Insights of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline
The XLogP value of 4.7867 indicates that 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-nitro-N-(1-phenylethyl)-4-(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 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline?
The CAS number of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline is 217191-48-5.
What is the molecular formula of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline?
The molecular formula of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline is C15H13F3N2O2.
What is the molecular weight of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline?
The molecular weight of 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline is 310.09 g/mol.
Where can I buy 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline?
You can request a quote for 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(1-phenylethyl)-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.