TL;DR: Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride (CAS 57647-42-4) is a chemical compound with molecular formula C21H27ClFN3 and molecular weight 375.18774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-[(5-fluoro-3-phenylindol-1-yl)-methylamino]ethyl]azanium chloride
Also Known As: INDOLE, 1-((2-(DIETHYLAMINO)ETHYL)METHYLAMINO)-5-FLUORO-3-PHENYL-, HYDROCHLORIDE, Ethylenediamine, N,N-diethyl-N'-(5-fluoro-3-phenyl-1-indolyl)-N'-methyl-, hydrochloride, N,N-Diethyl-N'-(5-fluoro-3-phenyl-1-indolyl)-N'-methyl-1,2-ethanediamine hydrochloride, N,N-Diethyl-N'-(5-fluoro-3-phenyl-1-indolyl)-N'-methylethylenediamine hydrochloride, DIETHYL-[2-[(5-FLUORO-3-PHENYLINDOL-1-YL)-METHYLAMINO]ETHYL]AZANIUMCHLORIDE
| Molecular Formula | C21H27ClFN3 |
| Molecular Weight | 375.18774 g/mol |
| XLogP | -0.06 |
| Topological Polar Surface Area (TPSA) | 12.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.18774 Da |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
| SMILES | CC[NH+](CC)CCN(C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3.[Cl-] |
| InChIKey | NBRMWOHXWUOBAO-UHFFFAOYSA-N |
The XLogP value of -0.06 indicates that Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.6 Ų, Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride has 1 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 Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride is 57647-42-4.
The molecular formula of Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride is C21H27ClFN3.
The molecular weight of Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride is 375.18774 g/mol.
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