N-Isopropyl-3,5-dimethylaniline
TL;DR: N-Isopropyl-3,5-dimethylaniline (CAS 52827-66-4) 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.
3,5-dimethyl-N-propan-2-ylaniline
Also Known As: N-Isopropyl-3,5-dimethylaniline, 3,5-dimethyl-N-(propan-2-yl)aniline, 3,5-dimethyl-N-propan-2-ylaniline, N-isopropyl-3,5-dimethyl-aniline, (3,5-Dimethylphenyl)isopropylamine
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.4 |
| 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 | 121.0 |
Chemical Identifiers
| CAS Number | 52827-66-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(C)C)C |
| InChIKey | YJJBVFMQPRKIQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Isopropyl-3,5-dimethylaniline (CAS 52827-66-4), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: 3,5-dimethyl-N-propan-2-ylaniline.
Chemical Property Profile of N-Isopropyl-3,5-dimethylaniline
Property Insights of N-Isopropyl-3,5-dimethylaniline
The XLogP value of 3.4 indicates that N-Isopropyl-3,5-dimethylaniline 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-Isopropyl-3,5-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isopropyl-3,5-dimethylaniline 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-Isopropyl-3,5-dimethylaniline?
The CAS number of N-Isopropyl-3,5-dimethylaniline is 52827-66-4.
What is the molecular formula of N-Isopropyl-3,5-dimethylaniline?
The molecular formula of N-Isopropyl-3,5-dimethylaniline is C11H17N.
What is the molecular weight of N-Isopropyl-3,5-dimethylaniline?
The molecular weight of N-Isopropyl-3,5-dimethylaniline is 163.14 g/mol.
Where can I buy N-Isopropyl-3,5-dimethylaniline?
You can request a quote for N-Isopropyl-3,5-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Isopropyl-3,5-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Isopropyl-3,5-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.