4-Isobutylaniline
TL;DR: 4-Isobutylaniline (CAS 30090-17-6) is a chemical compound with molecular formula C10H15N and molecular weight 149.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylpropyl)aniline
Also Known As: 4-Isobutylaniline, 4-(2-methylpropyl)aniline, p-isobutylaniline, 4-Isobutylanilin, Benzenamine, 4-(2-methylpropyl)-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H15N |
| Molecular Weight | 149.12045 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.12045 Da |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)N |
| InChIKey | JSHQATXVCGCYJQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isobutylaniline
Property Insights of 4-Isobutylaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobutylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Isobutylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isobutylaniline 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 4-Isobutylaniline?
The CAS number of 4-Isobutylaniline is 30090-17-6.
What is the molecular formula of 4-Isobutylaniline?
The molecular formula of 4-Isobutylaniline is C10H15N.
What is the molecular weight of 4-Isobutylaniline?
The molecular weight of 4-Isobutylaniline is 149.12045 g/mol.
Where can I buy 4-Isobutylaniline?
You can request a quote for 4-Isobutylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isobutylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Isobutylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.