4-bromo-N-(4-ethoxybenzyl)-2-methylaniline
TL;DR: 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline (CAS 423740-06-1) is a chemical compound with molecular formula C16H18BrNO and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-ethoxyphenyl)methyl]-2-methylaniline
Also Known As: 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline, 4-bromo-N-[(4-ethoxyphenyl)methyl]-2-methylaniline, (4-bromo-2-methylphenyl)[(4-ethoxyphenyl)methyl]amine, N-(4-BROMO-2-METHYLPHENYL)-N-(4-ETHOXYBENZYL)AMINE
| Molecular Formula | C16H18BrNO |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 4.76832 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0572 |
| Heavy Atoms | 19 |
| Complexity | 536.94525 |
Chemical Identifiers
| CAS Number | 423740-06-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C |
Product Overview
4-bromo-N-(4-ethoxybenzyl)-2-methylaniline (CAS 423740-06-1), with molecular formula C16H18BrNO and molecular weight 319.06 g/mol. IUPAC: 4-bromo-N-[(4-ethoxyphenyl)methyl]-2-methylaniline.
Chemical Property Profile of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline
Property Insights of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline
The XLogP value of 4.76832 indicates that 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline has 1 hydrogen bond donor(s) and 2 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 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline?
The CAS number of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline is 423740-06-1.
What is the molecular formula of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline?
The molecular formula of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline is C16H18BrNO.
What is the molecular weight of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline?
The molecular weight of 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline is 319.06 g/mol.
Where can I buy 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline?
You can request a quote for 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4-ethoxybenzyl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.