Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride
TL;DR: Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride (CAS 58258-03-0) is a chemical compound with molecular formula C9H13BrClFN2 and molecular weight 281.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(dimethylamino)methyl]-6-fluoroaniline;hydrochloride
Also Known As: 2-Amino-5-bromo-N,N-dimethyl-3-fluorobenzylamine hydrochloride, Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride, 2-Amino-5-bromo-N,N-dimethyl-3-fluorobenzenemethanamine monohydrochloride, 4-bromo-2-(dimethylaminomethyl)-6-fluoroaniline hydrochloride, 4-bromo-2-[(dimethylamino)methyl]-6-fluoroaniline,hydrochloride
| Molecular Formula | C9H13BrClFN2 |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 2.6538 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.99347 |
| Heavy Atoms | 14 |
| Complexity | 317.9254 |
Chemical Identifiers
| CAS Number | 58258-03-0 |
|---|---|
| SMILES | CN(C)CC1=C(C(=CC(=C1)Br)F)N.Cl |
Product Overview
Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride (CAS 58258-03-0), with molecular formula C9H13BrClFN2 and molecular weight 281.99 g/mol. IUPAC: 4-bromo-2-[(dimethylamino)methyl]-6-fluoroaniline;hydrochloride.
Chemical Property Profile of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride
Property Insights of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride
The XLogP value of 2.6538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride. With a topological polar surface area (TPSA) of 29.26 Ų, Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride has 1 hydrogen bond donor(s) and 2 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 Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride?
The CAS number of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride is 58258-03-0.
What is the molecular formula of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride?
The molecular formula of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride is C9H13BrClFN2.
What is the molecular weight of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride?
The molecular weight of Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride is 281.99 g/mol.
Where can I buy Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride?
You can request a quote for Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 2-amino-5-bromo-N,N-dimethyl-3-fluoro-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.