n-(4-Fluorobenzyl)aniline
TL;DR: n-(4-Fluorobenzyl)aniline (CAS 83444-25-1) is a chemical compound with molecular formula C13H12FN and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]aniline
Also Known As: n-(4-fluorobenzyl)aniline, 4-fluoro-benzylaniline, N-[(4-fluorophenyl)methyl]aniline, N-Phenyl-4-fluorobenzylamine, 4-fluoro-N-phenylbenzenemethanamine
| Molecular Formula | C13H12FN |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | 3.4378 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.09538 |
| Heavy Atoms | 15 |
| Complexity | 408.3109 |
Chemical Identifiers
| CAS Number | 83444-25-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=CC=C(C=C2)F |
Product Overview
n-(4-Fluorobenzyl)aniline (CAS 83444-25-1), with molecular formula C13H12FN and molecular weight 201.10 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]aniline.
Chemical Property Profile of n-(4-Fluorobenzyl)aniline
Property Insights of n-(4-Fluorobenzyl)aniline
The XLogP value of 3.4378 indicates that n-(4-Fluorobenzyl)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-(4-Fluorobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(4-Fluorobenzyl)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-(4-Fluorobenzyl)aniline?
The CAS number of n-(4-Fluorobenzyl)aniline is 83444-25-1.
What is the molecular formula of n-(4-Fluorobenzyl)aniline?
The molecular formula of n-(4-Fluorobenzyl)aniline is C13H12FN.
What is the molecular weight of n-(4-Fluorobenzyl)aniline?
The molecular weight of n-(4-Fluorobenzyl)aniline is 201.10 g/mol.
Where can I buy n-(4-Fluorobenzyl)aniline?
You can request a quote for n-(4-Fluorobenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Fluorobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Fluorobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.