2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline
TL;DR: 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline (CAS 353779-57-4) 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.
2-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylaniline
Also Known As: 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline, 2-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylaniline, N-(2-BROMO-4-METHYLPHENYL)-N-(4-METHOXY-2,5-DIMETHYLBENZYL)AMINE
| 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 | 353779-57-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NCC2=C(C=C(C(=C2)C)OC)C)Br |
Product Overview
2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline (CAS 353779-57-4), with molecular formula C17H20BrNO and molecular weight 333.07 g/mol. IUPAC: 2-bromo-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylaniline.
Chemical Property Profile of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline
Property Insights of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline
The XLogP value of 4.99506 indicates that 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-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, 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-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 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline?
The CAS number of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline is 353779-57-4.
What is the molecular formula of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline?
The molecular formula of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline is C17H20BrNO.
What is the molecular weight of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline?
The molecular weight of 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline is 333.07 g/mol.
Where can I buy 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline?
You can request a quote for 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(4-methoxy-2,5-dimethylbenzyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.