2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine
TL;DR: 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine (CAS 418792-67-3) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
Also Known As: BIM-0025291.P001, J2.195.673B, N-(2-Nitrobenzyl)-3,4-dimethoxyphenethylamine, 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine, [2-(3,4-dimethoxyphenyl)ethyl][(2-nitrophenyl)methyl]amine
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.9443 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 673.393 |
Chemical Identifiers
| CAS Number | 418792-67-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC2=CC=CC=C2[N+](=O)[O-])OC |
Product Overview
2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine (CAS 418792-67-3), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-N-[(2-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine
Property Insights of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine
The XLogP value of 2.9443 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine. Following Lipinski's Rule of Five, 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine?
The CAS number of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine is 418792-67-3.
What is the molecular formula of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine?
The molecular formula of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine is C17H20N2O4.
What is the molecular weight of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine?
The molecular weight of 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine is 316.14 g/mol.
Where can I buy 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine?
You can request a quote for 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethoxyphenyl)-N-(2-nitrobenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.