N-tert-butyl-3-methylaniline
TL;DR: N-tert-butyl-3-methylaniline (CAS 42498-33-9) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-3-methylaniline
Also Known As: N-tert-butyl-3-methylaniline, tert-butyl-m-tolylamine, 3-methyl-N-tert-butyl-aniline, Aniline, 3-methyl-N-tert-butyl-, N-(TERT-BUTYL)-3-METHYLBENZAMIDE
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 42498-33-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(C)(C)C |
| InChIKey | HSWVXQUVZGSPNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-butyl-3-methylaniline (CAS 42498-33-9), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: N-tert-butyl-3-methylaniline.
Chemical Property Profile of N-tert-butyl-3-methylaniline
Property Insights of N-tert-butyl-3-methylaniline
The XLogP value of 3.6 indicates that N-tert-butyl-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-tert-butyl-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-3-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
Frequently Asked Questions
What is the CAS number of N-tert-butyl-3-methylaniline?
The CAS number of N-tert-butyl-3-methylaniline is 42498-33-9.
What is the molecular formula of N-tert-butyl-3-methylaniline?
The molecular formula of N-tert-butyl-3-methylaniline is C11H17N.
What is the molecular weight of N-tert-butyl-3-methylaniline?
The molecular weight of N-tert-butyl-3-methylaniline is 163.14 g/mol.
Where can I buy N-tert-butyl-3-methylaniline?
You can request a quote for N-tert-butyl-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.