N-(2-chloro-6-fluorobenzyl)-4-methylaniline
TL;DR: N-(2-chloro-6-fluorobenzyl)-4-methylaniline (CAS 869951-47-3) is a chemical compound with molecular formula C14H13ClFN and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylaniline
Also Known As: N-(2-chloro-6-fluorobenzyl)-4-methylaniline, N-[(2-chloro-6-fluorophenyl)methyl]-4-methylaniline, AN-465/14528976, N-(2-chloro-6-fluorobenzyl)-N-(4-methylphenyl)amine, [(6-chloro-2-fluorophenyl)methyl](4-methylphenyl)amine
| Molecular Formula | C14H13ClFN |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 4.39962 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07205 |
| Heavy Atoms | 17 |
| Complexity | 487.8807 |
Chemical Identifiers
| CAS Number | 869951-47-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=C(C=CC=C2Cl)F |
Product Overview
N-(2-chloro-6-fluorobenzyl)-4-methylaniline (CAS 869951-47-3), with molecular formula C14H13ClFN and molecular weight 249.07 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-4-methylaniline.
Chemical Property Profile of N-(2-chloro-6-fluorobenzyl)-4-methylaniline
Property Insights of N-(2-chloro-6-fluorobenzyl)-4-methylaniline
The XLogP value of 4.39962 indicates that N-(2-chloro-6-fluorobenzyl)-4-methylaniline 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-(2-chloro-6-fluorobenzyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloro-6-fluorobenzyl)-4-methylaniline 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-(2-chloro-6-fluorobenzyl)-4-methylaniline?
The CAS number of N-(2-chloro-6-fluorobenzyl)-4-methylaniline is 869951-47-3.
What is the molecular formula of N-(2-chloro-6-fluorobenzyl)-4-methylaniline?
The molecular formula of N-(2-chloro-6-fluorobenzyl)-4-methylaniline is C14H13ClFN.
What is the molecular weight of N-(2-chloro-6-fluorobenzyl)-4-methylaniline?
The molecular weight of N-(2-chloro-6-fluorobenzyl)-4-methylaniline is 249.07 g/mol.
Where can I buy N-(2-chloro-6-fluorobenzyl)-4-methylaniline?
You can request a quote for N-(2-chloro-6-fluorobenzyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-6-fluorobenzyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-6-fluorobenzyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.