N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine
TL;DR: N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine (CAS 774550-75-3) is a chemical compound with molecular formula C16H17BrFNO2 and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
Also Known As: AN-465/42834727, N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine, (3-Bromo-4,5-dimethoxy-benzyl)-(4-fluoro-benzyl)-amine, 1-(3-bromo-4,5-dimethoxyphenyl)-N-(4-fluorobenzyl)methanamine, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
| Molecular Formula | C16H17BrFNO2 |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 3.8952 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.04266 |
| Heavy Atoms | 21 |
| Complexity | 601.9711 |
Chemical Identifiers
| CAS Number | 774550-75-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNCC2=CC=C(C=C2)F)Br)OC |
Product Overview
N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine (CAS 774550-75-3), with molecular formula C16H17BrFNO2 and molecular weight 353.04 g/mol. IUPAC: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.
Chemical Property Profile of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine
Property Insights of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine
The XLogP value of 3.8952 indicates that N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)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 N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine?
The CAS number of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine is 774550-75-3.
What is the molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine?
The molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine is C16H17BrFNO2.
What is the molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine?
The molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine is 353.04 g/mol.
Where can I buy N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine?
You can request a quote for N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4,5-dimethoxybenzyl)-N-(4-fluorobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.