TL;DR: Indole, 1-((2-(diethylamino)ethyl)methylamino)-3-phenyl-, hydrochloride (CAS 57647-36-6) is a chemical compound with molecular formula C21H28ClN3 and molecular weight 357.19717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-[methyl-(3-phenylindol-1-yl)amino]ethyl]azanium chloride
Also Known As: INDOLE, 1-((2-(DIETHYLAMINO)ETHYL)METHYLAMINO)-3-PHENYL-, HYDROCHLORIDE, diethyl-[2-[methyl-(3-phenylindol-1-yl)amino]ethyl]azanium chloride, Ethylenediamine, N,N-diethyl-N'-methyl-N'-(3-phenyl-1-indolyl)-, hydrochloride, N,N-Diethyl-N'-methyl-N'-(3-phenyl-1-indolyl)-1,2-ethanediamine hydrochloride, N,N-Diethyl-N'-methyl-N'-(3-phenyl-1-indolyl)ethylenediamine hydrochloride
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H28ClN3 |
| Molecular Weight | 357.19717 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 12.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.19717 Da |
| Heavy Atoms | 25 |
| Complexity | 362.0 |
| SMILES | CC[NH+](CC)CCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3.[Cl-] |
| InChIKey | BJHKOIZALKFUKU-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Indole, 1-((2-(diethylamino)ethyl)methylamino)-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)-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)-3-phenyl-, hydrochloride 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 Indole, 1-((2-(diethylamino)ethyl)methylamino)-3-phenyl-, hydrochloride is 57647-36-6.
The molecular formula of Indole, 1-((2-(diethylamino)ethyl)methylamino)-3-phenyl-, hydrochloride is C21H28ClN3.
The molecular weight of Indole, 1-((2-(diethylamino)ethyl)methylamino)-3-phenyl-, hydrochloride is 357.19717 g/mol.
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