5-Chloro-2-(3-methylphenoxy)aniline
TL;DR: 5-Chloro-2-(3-methylphenoxy)aniline (CAS 1185298-27-4) is a chemical compound with molecular formula C13H12ClNO and molecular weight 233.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-(3-methylphenoxy)aniline
Also Known As: 5-chloro-2-(3-methylphenoxy)aniline, 5-Chloro-2-(m-tolyloxy)aniline, methanesulphonylacetonitrile, 5-CHLORO-2- ANILINE, 5816AE
Technical Specifications
| Molecular Formula | C13H12ClNO |
| Molecular Weight | 233.06075 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06075 Da |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
| SMILES | CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)N |
| InChIKey | KBUUENZGTGZADQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-(3-methylphenoxy)aniline
Property Insights of 5-Chloro-2-(3-methylphenoxy)aniline
The XLogP value of 3.8 indicates that 5-Chloro-2-(3-methylphenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 5-Chloro-2-(3-methylphenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(3-methylphenoxy)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
What is the CAS number of 5-Chloro-2-(3-methylphenoxy)aniline?
The CAS number of 5-Chloro-2-(3-methylphenoxy)aniline is 1185298-27-4.
What is the molecular formula of 5-Chloro-2-(3-methylphenoxy)aniline?
The molecular formula of 5-Chloro-2-(3-methylphenoxy)aniline is C13H12ClNO.
What is the molecular weight of 5-Chloro-2-(3-methylphenoxy)aniline?
The molecular weight of 5-Chloro-2-(3-methylphenoxy)aniline is 233.06075 g/mol.
Where can I buy 5-Chloro-2-(3-methylphenoxy)aniline?
You can request a quote for 5-Chloro-2-(3-methylphenoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-(3-methylphenoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-(3-methylphenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.