2-(3-Methylbutoxy)aniline
TL;DR: 2-(3-Methylbutoxy)aniline (CAS 111299-83-3) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylbutoxy)aniline
Also Known As: 2-(3-methylbutoxy)aniline, 2-isopentyloxyaniline, 2-isopentyloxy-aniline, 2-(isopentyloxy)aniline
Technical Specifications
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.13101 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.13101 Da |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
| SMILES | CC(C)CCOC1=CC=CC=C1N |
| InChIKey | NNLASXHHVDQFTE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Methylbutoxy)aniline
Property Insights of 2-(3-Methylbutoxy)aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methylbutoxy)aniline. With a topological polar surface area (TPSA) of 35.3 Ų, 2-(3-Methylbutoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methylbutoxy)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 2-(3-Methylbutoxy)aniline?
The CAS number of 2-(3-Methylbutoxy)aniline is 111299-83-3.
What is the molecular formula of 2-(3-Methylbutoxy)aniline?
The molecular formula of 2-(3-Methylbutoxy)aniline is C11H17NO.
What is the molecular weight of 2-(3-Methylbutoxy)aniline?
The molecular weight of 2-(3-Methylbutoxy)aniline is 179.13101 g/mol.
Where can I buy 2-(3-Methylbutoxy)aniline?
You can request a quote for 2-(3-Methylbutoxy)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Methylbutoxy)aniline?
Yes, CoreyChem provides custom synthesis services for 2-(3-Methylbutoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.