2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
TL;DR: 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) (CAS 582-42-3) is a chemical compound with molecular formula C12H19BrFNO and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide
Also Known As: alpha-Butylaminomethyl-3-fluorobenzyl alcohol hydrobromide, 2-(butylamino)-1-(3-fluorophenyl)ethanol hydrobromide, 2-(butylamino)-1-(3-fluorophenyl)ethanol,hydrobromide, BENZYL ALCOHOL, alpha-BUTYLAMINOMETHYL-3-FLUORO-, HYDROBROMIDE, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
| Molecular Formula | C12H19BrFNO |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.83 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.0634 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 582-42-3 |
|---|---|
| SMILES | CCCCNCC(C1=CC(=CC=C1)F)O.Br |
| InChIKey | PSCSSZVPGRTKPV-UHFFFAOYSA-N |
Product Overview
2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) (CAS 582-42-3), with molecular formula C12H19BrFNO and molecular weight 291.06 g/mol. IUPAC: 2-(butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide.
Chemical Property Profile of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
Property Insights of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
The XLogP value of 2.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1). With a topological polar surface area (TPSA) of 32.3 Ų, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) has 3 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 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)?
The CAS number of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) is 582-42-3.
What is the molecular formula of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)?
The molecular formula of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) is C12H19BrFNO.
What is the molecular weight of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)?
The molecular weight of 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) is 291.06 g/mol.
Where can I buy 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)?
You can request a quote for 2-(Butylamino)-1-(3-fluorophenyl)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 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.