1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)
TL;DR: 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) (CAS 2794-40-3) is a chemical compound with molecular formula C9H13BrFNO and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-fluorophenyl)-2-hydroxyethyl]-methylazanium bromide
Also Known As: 3-Fluoro-alpha-(methylaminomethyl)benzyl alcohol hydrobromide, 1-(3-Fluorophenyl)-2-methylaminoethanol hydrobromide, [2-(3-fluorophenyl)-2-hydroxyethyl]-methylazanium bromide, Ethanol, 1-(3-fluorophenyl)-2-methylamino-, hydrobromide, BENZYL ALCOHOL, 3-FLUORO-alpha-(METHYLAMINOMETHYL)-, HYDROBROMIDE
| Molecular Formula | C9H13BrFNO |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.01645 |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2794-40-3 |
|---|---|
| SMILES | C[NH2+]CC(C1=CC(=CC=C1)F)O.[Br-] |
| InChIKey | DVKSOXIURWXYHN-UHFFFAOYSA-N |
Product Overview
1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) (CAS 2794-40-3), with molecular formula C9H13BrFNO and molecular weight 249.02 g/mol. IUPAC: [2-(3-fluorophenyl)-2-hydroxyethyl]-methylazanium bromide.
Chemical Property Profile of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)
Property Insights of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)
The XLogP value of -2.94 indicates that 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) has 2 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 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)?
The CAS number of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) is 2794-40-3.
What is the molecular formula of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)?
The molecular formula of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) is C9H13BrFNO.
What is the molecular weight of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)?
The molecular weight of 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) is 249.02 g/mol.
Where can I buy 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)?
You can request a quote for 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluorophenyl)-2-(methylamino)ethan-1-ol--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.