TL;DR: 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine (CAS 1005159-84-1) is a chemical compound with molecular formula C17H27NO and molecular weight 261.20926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-ethyl-2-methyloxan-4-yl)-3-phenylpropan-1-amine
Also Known As: 3-(2-ethyl-2-methyloxan-4-yl)-3-phenylpropan-1-amine, 3-(2-ethyl-2-methyl-oxan-4-yl)-3-phenyl-propan-1-amine, 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine
| Molecular Formula | C17H27NO |
| Molecular Weight | 261.20926 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.20926 Da |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
| SMILES | CCC1(CC(CCO1)C(CCN)C2=CC=CC=C2)C |
| InChIKey | XFYDEOVNLBSXAJ-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine 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 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine is 1005159-84-1.
The molecular formula of 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine is C17H27NO.
The molecular weight of 3-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-3-phenylpropan-1-amine is 261.20926 g/mol.
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