TL;DR: N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate (CAS 106877-13-8) is a chemical compound with molecular formula C12H17Cl2NO and molecular weight 261.06873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(2,6-dichlorophenoxy)ethyl]butan-1-amine
Also Known As: N-[2-(2,6-dichlorophenoxy)ethyl]butan-1-amine, 1-Butanamine, N-[2-(2,6-dichlorophenoxy)ethyl]-, N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 261.06873 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.06873 Da |
| Heavy Atoms | 16 |
| Complexity | 170.0 |
| SMILES | CCCCNCCOC1=C(C=CC=C1Cl)Cl |
| InChIKey | NAFGGMMDZBYHGV-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate 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-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate is 106877-13-8.
The molecular formula of N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate is C12H17Cl2NO.
The molecular weight of N-[2-(2,6-dichlorophenoxy)ethyl]-1-butanamine oxalate is 261.06873 g/mol.
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