N-benzyl-3-(trifluoromethyl)aniline
TL;DR: N-benzyl-3-(trifluoromethyl)aniline (CAS 404-64-8) is a chemical compound with molecular formula C14H12F3N and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(trifluoromethyl)aniline
Also Known As: N-benzyl-3-(trifluoromethyl)aniline, 3-trifluoromethyl-N-(benzyl)aniline, Benzyl[3-(trifluoromethyl)phenyl]amine, N-[3-(Trifluoromethyl)phenyl]benzylamine, N-(3-trifluoromethylphenyl)-N-benzylamine
| Molecular Formula | C14H12F3N |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 4.3175 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.09218 |
| Heavy Atoms | 18 |
| Complexity | 505.9476 |
Chemical Identifiers
| CAS Number | 404-64-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-benzyl-3-(trifluoromethyl)aniline (CAS 404-64-8), with molecular formula C14H12F3N and molecular weight 251.09 g/mol. IUPAC: N-benzyl-3-(trifluoromethyl)aniline.
Chemical Property Profile of N-benzyl-3-(trifluoromethyl)aniline
Property Insights of N-benzyl-3-(trifluoromethyl)aniline
The XLogP value of 4.3175 indicates that N-benzyl-3-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-benzyl-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 1 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-benzyl-3-(trifluoromethyl)aniline?
The CAS number of N-benzyl-3-(trifluoromethyl)aniline is 404-64-8.
What is the molecular formula of N-benzyl-3-(trifluoromethyl)aniline?
The molecular formula of N-benzyl-3-(trifluoromethyl)aniline is C14H12F3N.
What is the molecular weight of N-benzyl-3-(trifluoromethyl)aniline?
The molecular weight of N-benzyl-3-(trifluoromethyl)aniline is 251.09 g/mol.
Where can I buy N-benzyl-3-(trifluoromethyl)aniline?
You can request a quote for N-benzyl-3-(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-benzyl-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.