N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine
TL;DR: N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine (CAS 683745-17-7) is a chemical compound with molecular formula C13H18Cl3NO and molecular weight 309.0454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-[3-(2,4,6-trichlorophenoxy)propyl]propan-2-amine
Also Known As: N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine, AB00095165-01, 2-methyl-N-[3-(2,4,6-trichlorophenoxy)propyl]propan-2-amine, N-tert-Butyl-3-(2,4,6-trichlorophenoxy)propan-1-amine
Technical Specifications
| Molecular Formula | C13H18Cl3NO |
| Molecular Weight | 309.0454 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.0454 Da |
| Heavy Atoms | 18 |
| Complexity | 233.0 |
| SMILES | CC(C)(C)NCCCOC1=C(C=C(C=C1Cl)Cl)Cl |
| InChIKey | CPSZNDWKRHQLHT-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine
Property Insights of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine
The XLogP value of 4.7 indicates that N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine 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
What is the CAS number of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine?
The CAS number of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine is 683745-17-7.
What is the molecular formula of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine?
The molecular formula of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine is C13H18Cl3NO.
What is the molecular weight of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine?
The molecular weight of N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine is 309.0454 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine?
You can request a quote for N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine?
Yes, CoreyChem provides custom synthesis services for N-(1,1-Dimethylethyl)-3-(2,4,6-trichlorophenoxy)-1-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.