N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline
TL;DR: N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline (CAS 332108-31-3) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylaniline
Also Known As: BAS 01125335, N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline, N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylaniline, (3,4-Dimethoxy-benzyl)-(3,5-dimethyl-phenyl)-amine, [(3,4-dimethoxyphenyl)methyl](3,5-dimethylphenyl)amine
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 332108-31-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NCC2=CC(=C(C=C2)OC)OC)C |
| InChIKey | GIRISKXCKGTDPH-UHFFFAOYSA-N |
Product Overview
N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline (CAS 332108-31-3), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylaniline.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline
Property Insights of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline
The XLogP value of 3.7 indicates that N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline 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-(3,4-dimethoxybenzyl)-3,5-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline 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-(3,4-dimethoxybenzyl)-3,5-dimethylaniline?
The CAS number of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline is 332108-31-3.
What is the molecular formula of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline?
The molecular formula of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline is C17H21NO2.
What is the molecular weight of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline?
The molecular weight of N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline is 271.16 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline?
You can request a quote for N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)-3,5-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.