[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine
TL;DR: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine (CAS 462066-63-3) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]ethanamine
Also Known As: BAS 01947742, [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine, 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxybenzyl)ethanamine, (2-Benzo[1,3]dioxol-5-yl-ethyl)-(2-ethoxy-benzyl)-amine, 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]ethanamine
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.1463 |
| Topological Polar Surface Area | 39.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 627.4794 |
Chemical Identifiers
| CAS Number | 462066-63-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1CNCCC2=CC3=C(C=C2)OCO3 |
Product Overview
[2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine (CAS 462066-63-3), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]ethanamine.
Chemical Property Profile of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine
Property Insights of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine
The XLogP value of 3.1463 indicates that [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.72 Ų, [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine has 1 hydrogen bond donor(s) and 4 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-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine?
The CAS number of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine is 462066-63-3.
What is the molecular formula of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine?
The molecular formula of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine is C18H21NO3.
What is the molecular weight of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine?
The molecular weight of [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine is 299.15 g/mol.
Where can I buy [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine?
You can request a quote for [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine?
Yes, KEHONG BIO provides custom synthesis services for [2-(2H-1,3-benzodioxol-5-yl)ethyl][(2-ethoxyphenyl)methyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.