TL;DR: 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol (CAS 1050420-15-9) is a chemical compound with molecular formula C14H19ClN2O and molecular weight 266.1186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol;hydrochloride
Also Known As: 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol, 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenyl-ethanol Hydrochloride, 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenylethanol hydrochloride, 2-(((1-methyl-1H-pyrrol-2-yl)methyl)amino)-1-phenylethanol hydrochloride
| Molecular Formula | C14H19ClN2O |
| Molecular Weight | 266.1186 g/mol |
| XLogP | 2.2701 |
| Topological Polar Surface Area (TPSA) | 37.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1186 Da |
| Heavy Atoms | 18 |
| Complexity | 216.0 |
| SMILES | CN1C=CC=C1CNCC(C2=CC=CC=C2)O.Cl |
| InChIKey | BPPNXZGXRXLVKP-UHFFFAOYSA-N |
The XLogP value of 2.2701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol. With a topological polar surface area (TPSA) of 37.2 Ų, 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol has 3 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 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol is 1050420-15-9.
The molecular formula of 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol is C14H19ClN2O.
The molecular weight of 2-[(1-Methyl-1H-pyrrol-2-ylmethyl)-amino]-1-phenyl-ethanol is 266.1186 g/mol.
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