![Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine structure](/static/products/3319/331970-58-2.webp)
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine
TL;DR: Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine (CAS 331970-58-2) is a chemical compound with molecular formula C16H16FNO2 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)ethanamine
Also Known As: Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)ethanamine, BAS 01124817, (2H-1,3-benzodioxol-5-ylmethyl)[2-(2-fluorophenyl)ethyl]amine, [(2H-1,3-benzodioxol-5-yl)methyl][2-(2-fluorophenyl)ethyl]amine
| Molecular Formula | C16H16FNO2 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | 2.8867 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.11652 |
| Heavy Atoms | 20 |
| Complexity | 600.78076 |
Chemical Identifiers
| CAS Number | 331970-58-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=CC=C3F |
Product Overview
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine (CAS 331970-58-2), with molecular formula C16H16FNO2 and molecular weight 273.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenyl)ethanamine.
Chemical Property Profile of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine
Property Insights of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine
The XLogP value of 2.8867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine. With a topological polar surface area (TPSA) of 30.49 Ų, Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine 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 Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine?
The CAS number of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine is 331970-58-2.
What is the molecular formula of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine?
The molecular formula of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine is C16H16FNO2.
What is the molecular weight of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine?
The molecular weight of Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine is 273.12 g/mol.
Where can I buy Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine?
You can request a quote for Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.