N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline
TL;DR: N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline (CAS 1024319-00-3) is a chemical compound with molecular formula C14H11ClF3N and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-3-(trifluoromethyl)aniline
Also Known As: N-(3-CHLOROBENZYL)-3-(TRIFLUOROMETHYL)ANILINE, N-[(3-chlorophenyl)methyl]-3-(trifluoromethyl)aniline, Benzenemethanamine, 3-chloro-N-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C14H11ClF3N |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 4.9709 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.05322 |
| Heavy Atoms | 19 |
| Complexity | 566.6127 |
Chemical Identifiers
| CAS Number | 1024319-00-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC2=CC=CC(=C2)C(F)(F)F |
Product Overview
N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline (CAS 1024319-00-3), with molecular formula C14H11ClF3N and molecular weight 285.05 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-3-(trifluoromethyl)aniline.
Chemical Property Profile of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline
Property Insights of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline
The XLogP value of 4.9709 indicates that N-(3-Chlorobenzyl)-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-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chlorobenzyl)-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-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline?
The CAS number of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline is 1024319-00-3.
What is the molecular formula of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline?
The molecular formula of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline is C14H11ClF3N.
What is the molecular weight of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline?
The molecular weight of N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline is 285.05 g/mol.
Where can I buy N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline?
You can request a quote for N-(3-Chlorobenzyl)-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-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorobenzyl)-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.