4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline
TL;DR: 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline (CAS 332108-24-4) is a chemical compound with molecular formula C17H20BrNO and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylaniline
Also Known As: BAS 01125273, 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline, (4-Bromo-2-methyl-phenyl)-(4-methoxy-2,5-dimethyl-benzyl)-amine, 4-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylaniline, 4-bromo-N-{[2,5-dimethyl-4-(methyloxy)phenyl]methyl}-2-methylaniline
| Molecular Formula | C17H20BrNO |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 4.99506 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0728 |
| Heavy Atoms | 20 |
| Complexity | 622.6273 |
Chemical Identifiers
| CAS Number | 332108-24-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C)CNC2=C(C=C(C=C2)Br)C |
Product Overview
4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline (CAS 332108-24-4), with molecular formula C17H20BrNO and molecular weight 333.07 g/mol. IUPAC: 4-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylaniline.
Chemical Property Profile of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline
Property Insights of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline
The XLogP value of 4.99506 indicates that 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-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-methoxy-2,5-dimethylbenzyl)-2-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-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-methoxy-2,5-dimethylbenzyl)-2-methylaniline?
The CAS number of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline is 332108-24-4.
What is the molecular formula of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline?
The molecular formula of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline is C17H20BrNO.
What is the molecular weight of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline?
The molecular weight of 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline is 333.07 g/mol.
Where can I buy 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline?
You can request a quote for 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-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-methoxy-2,5-dimethylbenzyl)-2-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-2-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.