n-Benzyl-n-ethyl-2-methylaniline
TL;DR: n-Benzyl-n-ethyl-2-methylaniline (CAS 4155-70-8) is a chemical compound with molecular formula C16H19N and molecular weight 225.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-ethyl-2-methylaniline
Also Known As: n-benzyl-n-ethyl-2-methylaniline, 1-(Chloromethyl)-2-iodobenzene
| Molecular Formula | C16H19N |
|---|---|
| Molecular Weight | 225.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.15175 |
| Heavy Atoms | 17 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 4155-70-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=CC=C2C |
| InChIKey | SURLPGUFELTBMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Benzyl-n-ethyl-2-methylaniline (CAS 4155-70-8), with molecular formula C16H19N and molecular weight 225.15 g/mol. IUPAC: N-benzyl-N-ethyl-2-methylaniline.
Chemical Property Profile of n-Benzyl-n-ethyl-2-methylaniline
Property Insights of n-Benzyl-n-ethyl-2-methylaniline
The XLogP value of 4.3 indicates that n-Benzyl-n-ethyl-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, n-Benzyl-n-ethyl-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Benzyl-n-ethyl-2-methylaniline has 0 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-Benzyl-n-ethyl-2-methylaniline?
The CAS number of n-Benzyl-n-ethyl-2-methylaniline is 4155-70-8.
What is the molecular formula of n-Benzyl-n-ethyl-2-methylaniline?
The molecular formula of n-Benzyl-n-ethyl-2-methylaniline is C16H19N.
What is the molecular weight of n-Benzyl-n-ethyl-2-methylaniline?
The molecular weight of n-Benzyl-n-ethyl-2-methylaniline is 225.15 g/mol.
Where can I buy n-Benzyl-n-ethyl-2-methylaniline?
You can request a quote for n-Benzyl-n-ethyl-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzyl-n-ethyl-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for n-Benzyl-n-ethyl-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.