TL;DR: N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine (CAS 130081-94-6) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol
Also Known As: Nmphmi, N-Methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine, J1.328.403B, 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol, 1-methyl-2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1H-indol-5-ol
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.12627 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 28.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.12627 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | CN1C2=C(C=C(C=C2)O)C=C1CN(C)CC#C |
| InChIKey | HFMZYVHURLNZFT-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine. With a topological polar surface area (TPSA) of 28.4 Ų, N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine 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-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine is 130081-94-6.
The molecular formula of N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine is C14H16N2O.
The molecular weight of N-methyl-N-(2-propynyl)-2-(5-hydroxy-1-methylindolyl)methylamine is 228.12627 g/mol.
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