(3-Fluorophenyl)(2-nitrobenzyl)amine
TL;DR: (3-Fluorophenyl)(2-nitrobenzyl)amine (CAS 416867-18-0) is a chemical compound with molecular formula C13H11FN2O2 and molecular weight 246.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[(2-nitrophenyl)methyl]aniline
Also Known As: (3-fluorophenyl)(2-nitrobenzyl)amine, 3-fluoro-N-[(2-nitrophenyl)methyl]aniline, benzenemethanamine, n-(3-fluorophenyl)-2-nitro-
| Molecular Formula | C13H11FN2O2 |
|---|---|
| Molecular Weight | 246.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.08046 |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 416867-18-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=CC(=CC=C2)F)[N+](=O)[O-] |
| InChIKey | OTFGGJZPKQEIQM-UHFFFAOYSA-N |
Product Overview
(3-Fluorophenyl)(2-nitrobenzyl)amine (CAS 416867-18-0), with molecular formula C13H11FN2O2 and molecular weight 246.08 g/mol. IUPAC: 3-fluoro-N-[(2-nitrophenyl)methyl]aniline.
Chemical Property Profile of (3-Fluorophenyl)(2-nitrobenzyl)amine
Property Insights of (3-Fluorophenyl)(2-nitrobenzyl)amine
The XLogP value of 3.3 indicates that (3-Fluorophenyl)(2-nitrobenzyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, (3-Fluorophenyl)(2-nitrobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluorophenyl)(2-nitrobenzyl)amine has 1 hydrogen bond donor(s) and 4 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 (3-Fluorophenyl)(2-nitrobenzyl)amine?
The CAS number of (3-Fluorophenyl)(2-nitrobenzyl)amine is 416867-18-0.
What is the molecular formula of (3-Fluorophenyl)(2-nitrobenzyl)amine?
The molecular formula of (3-Fluorophenyl)(2-nitrobenzyl)amine is C13H11FN2O2.
What is the molecular weight of (3-Fluorophenyl)(2-nitrobenzyl)amine?
The molecular weight of (3-Fluorophenyl)(2-nitrobenzyl)amine is 246.08 g/mol.
Where can I buy (3-Fluorophenyl)(2-nitrobenzyl)amine?
You can request a quote for (3-Fluorophenyl)(2-nitrobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Fluorophenyl)(2-nitrobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluorophenyl)(2-nitrobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.