N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline
TL;DR: N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline (CAS 355395-67-4) is a chemical compound with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylaniline
Also Known As: BIM-0020201.P001, N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline, N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylaniline, [(2-bromo-4,5-dimethoxyphenyl)methyl](3-methylphenyl)amine, N-(2-BROMO-4,5-DIMETHOXYBENZYL)-N-(3-METHYLPHENYL)AMINE
| Molecular Formula | C16H18BrNO2 |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0521 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 355395-67-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NCC2=CC(=C(C=C2Br)OC)OC |
| InChIKey | ZLGAQYRLKFHBHC-UHFFFAOYSA-N |
Product Overview
N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline (CAS 355395-67-4), with molecular formula C16H18BrNO2 and molecular weight 335.05 g/mol. IUPAC: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methylaniline.
Chemical Property Profile of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline
Property Insights of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline
The XLogP value of 4.4 indicates that N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.5 Ų, N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline has 1 hydrogen bond donor(s) and 3 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-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline?
The CAS number of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline is 355395-67-4.
What is the molecular formula of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline?
The molecular formula of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline is C16H18BrNO2.
What is the molecular weight of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline?
The molecular weight of N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline is 335.05 g/mol.
Where can I buy N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline?
You can request a quote for N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromo-4,5-dimethoxybenzyl)-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.