2-(o-Tolyloxy)aniline
TL;DR: 2-(o-Tolyloxy)aniline (CAS 3840-18-4) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenoxy)aniline
Also Known As: 2-(o-Tolyloxy)aniline, 2-(2-Methylphenoxy)aniline, 2-Amino-2'-methyldiphenyl ether, 2-(o-tolyloxy)benzenamine, ANILINE, 2-(o-TOLYLOXY)-
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
| Solubility | 3.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 3840-18-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OC2=CC=CC=C2N |
| InChIKey | JYJPXACGURQSCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(o-Tolyloxy)aniline (CAS 3840-18-4), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 2-(2-methylphenoxy)aniline.
Chemical Property Profile of 2-(o-Tolyloxy)aniline
Property Insights of 2-(o-Tolyloxy)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(o-Tolyloxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 2-(o-Tolyloxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(o-Tolyloxy)aniline has 1 hydrogen bond donor(s) and 2 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 2-(o-Tolyloxy)aniline?
The CAS number of 2-(o-Tolyloxy)aniline is 3840-18-4.
What is the molecular formula of 2-(o-Tolyloxy)aniline?
The molecular formula of 2-(o-Tolyloxy)aniline is C13H13NO.
What is the molecular weight of 2-(o-Tolyloxy)aniline?
The molecular weight of 2-(o-Tolyloxy)aniline is 199.10 g/mol.
Where can I buy 2-(o-Tolyloxy)aniline?
You can request a quote for 2-(o-Tolyloxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(o-Tolyloxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(o-Tolyloxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.