N-(pentan-2-yl)aniline
TL;DR: N-(pentan-2-yl)aniline (CAS 2716-62-3) 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-pentan-2-ylaniline
Also Known As: N-(pentan-2-yl)aniline, N-pentan-2-ylaniline, N-Sec-amyl aniline, N-sec-Pentylaniline, N-(1-methylbutyl)aniline
| 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 | 4 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 2716-62-3 |
|---|---|
| SMILES | CCCC(C)NC1=CC=CC=C1 |
| InChIKey | HULIKQJHXKLBMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(pentan-2-yl)aniline (CAS 2716-62-3), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: N-pentan-2-ylaniline.
Chemical Property Profile of N-(pentan-2-yl)aniline
Property Insights of N-(pentan-2-yl)aniline
The XLogP value of 3.6 indicates that N-(pentan-2-yl)aniline 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-(pentan-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(pentan-2-yl)aniline 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-(pentan-2-yl)aniline?
The CAS number of N-(pentan-2-yl)aniline is 2716-62-3.
What is the molecular formula of N-(pentan-2-yl)aniline?
The molecular formula of N-(pentan-2-yl)aniline is C11H17N.
What is the molecular weight of N-(pentan-2-yl)aniline?
The molecular weight of N-(pentan-2-yl)aniline is 163.14 g/mol.
Where can I buy N-(pentan-2-yl)aniline?
You can request a quote for N-(pentan-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(pentan-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(pentan-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.