TL;DR: Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- (CAS 109965-82-4) is a chemical compound with molecular formula C18H30BrNO2 and molecular weight 371.146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-bromo-2-pentoxyphenyl)methoxy]-N,N-diethylethanamine
Also Known As: 2-(5-Bromo-2-pentyloxybenzyloxy)triethylamine, Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)-, 2-[(5-bromo-2-pentoxyphenyl)methoxy]-N,N-diethylethanamine, 2-{[5-Bromo-2-(pentyloxy)phenyl]methoxy}-N,N-diethylethan-1-amine
| Molecular Formula | C18H30BrNO2 |
| Molecular Weight | 371.146 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 371.146 Da |
| Heavy Atoms | 22 |
| Complexity | 261.0 |
| SMILES | CCCCCOC1=C(C=C(C=C1)Br)COCCN(CC)CC |
| InChIKey | OKLNKVUJLBLOSU-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- is 109965-82-4.
The molecular formula of Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- is C18H30BrNO2.
The molecular weight of Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)- is 371.146 g/mol.
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