![3-[4-(3-Aminophenoxy)butoxy]aniline structure](/static/products/5226/5226-81-3.webp)
3-[4-(3-Aminophenoxy)butoxy]aniline
TL;DR: 3-[4-(3-Aminophenoxy)butoxy]aniline (CAS 5226-81-3) is a chemical compound with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-aminophenoxy)butoxy]aniline
Also Known As: 3-[4-(3-aminophenoxy)butoxy]aniline, 3,3 -(Tetramethylenebisoxy)bisaniline, 3,3 -(Butane-1,4-diyldioxy)dianiline, 3,3'-[Butane-1,4-diylbis(oxy)]dianiline, J1.183.546E
| Molecular Formula | C16H20N2O2 |
|---|---|
| Molecular Weight | 272.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.15247 |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 5226-81-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCCOC2=CC=CC(=C2)N)N |
| InChIKey | RKVYQWSCHYCGPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(3-Aminophenoxy)butoxy]aniline (CAS 5226-81-3), with molecular formula C16H20N2O2 and molecular weight 272.15 g/mol. IUPAC: 3-[4-(3-aminophenoxy)butoxy]aniline.
Chemical Property Profile of 3-[4-(3-Aminophenoxy)butoxy]aniline
Property Insights of 3-[4-(3-Aminophenoxy)butoxy]aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(3-Aminophenoxy)butoxy]aniline. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(3-Aminophenoxy)butoxy]aniline. Following Lipinski's Rule of Five, 3-[4-(3-Aminophenoxy)butoxy]aniline has 2 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-[4-(3-Aminophenoxy)butoxy]aniline?
The CAS number of 3-[4-(3-Aminophenoxy)butoxy]aniline is 5226-81-3.
What is the molecular formula of 3-[4-(3-Aminophenoxy)butoxy]aniline?
The molecular formula of 3-[4-(3-Aminophenoxy)butoxy]aniline is C16H20N2O2.
What is the molecular weight of 3-[4-(3-Aminophenoxy)butoxy]aniline?
The molecular weight of 3-[4-(3-Aminophenoxy)butoxy]aniline is 272.15 g/mol.
Where can I buy 3-[4-(3-Aminophenoxy)butoxy]aniline?
You can request a quote for 3-[4-(3-Aminophenoxy)butoxy]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(3-Aminophenoxy)butoxy]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(3-Aminophenoxy)butoxy]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.