![2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine structure](/static/products/861/861116-68-9.png)
2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
TL;DR: 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine (CAS 861116-68-9) is a chemical compound with molecular formula C21H34FNO and molecular weight 335.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
Also Known As: 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine, 2-[2,2-dimethyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]-N-(4-fluorobenzyl)ethanamine, {2-[2,2-DIMETHYL-4-(3-METHYLBUTYL)OXAN-4-YL]ETHYL}[(4-FLUOROPHENYL)METHYL]AMINE, N-(4-fluorobenzyl)-2-(4-isopentyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)ethanamine
| Molecular Formula | C21H34FNO |
|---|---|
| Molecular Weight | 335.26 g/mol |
| LogP | 5.317 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.26245 |
| Heavy Atoms | 24 |
| Complexity | 497.06512 |
Chemical Identifiers
| CAS Number | 861116-68-9 |
|---|---|
| SMILES | CC(C)CCC1(CCOC(C1)(C)C)CCNCC2=CC=C(C=C2)F |
Product Overview
2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine (CAS 861116-68-9), with molecular formula C21H34FNO and molecular weight 335.26 g/mol. IUPAC: 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine.
Chemical Property Profile of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
Property Insights of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine
The XLogP value of 5.317 indicates that 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The CAS number of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is 861116-68-9.
What is the molecular formula of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The molecular formula of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is C21H34FNO.
What is the molecular weight of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
The molecular weight of 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine is 335.26 g/mol.
Where can I buy 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
You can request a quote for 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]-N-[(4-fluorophenyl)methyl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.