2-tert-Butyl-6-methylaniline
TL;DR: 2-tert-Butyl-6-methylaniline (CAS 13117-94-7) is a chemical compound with molecular formula C11H17N and molecular weight 163.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-6-methylaniline
Also Known As: 2-tert-Butyl-6-methylaniline, 2-(tert-Butyl)-6-methylaniline, 6-tert-Butyl-o-toluidine, 2-Methyl-6-t-butylaniline, 2-methyl-6-tert-butyl aniline
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H17N |
| Molecular Weight | 163.1361 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.1361 Da |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| SMILES | CC1=C(C(=CC=C1)C(C)(C)C)N |
| InChIKey | GWIUAENVORNODL-UHFFFAOYSA-N |
Chemical Property Profile of 2-tert-Butyl-6-methylaniline
Property Insights of 2-tert-Butyl-6-methylaniline
The XLogP value of 3.3 indicates that 2-tert-Butyl-6-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-tert-Butyl-6-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-6-methylaniline 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
What is the CAS number of 2-tert-Butyl-6-methylaniline?
The CAS number of 2-tert-Butyl-6-methylaniline is 13117-94-7.
What is the molecular formula of 2-tert-Butyl-6-methylaniline?
The molecular formula of 2-tert-Butyl-6-methylaniline is C11H17N.
What is the molecular weight of 2-tert-Butyl-6-methylaniline?
The molecular weight of 2-tert-Butyl-6-methylaniline is 163.1361 g/mol.
Where can I buy 2-tert-Butyl-6-methylaniline?
You can request a quote for 2-tert-Butyl-6-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-tert-Butyl-6-methylaniline?
Yes, CoreyChem provides custom synthesis services for 2-tert-Butyl-6-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.