TL;DR: Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride (CAS 63938-64-7) is a chemical compound with molecular formula C18H29ClN2 and molecular weight 308.20193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-indol-3-yl)ethyl-bis(2-methylpropyl)azanium chloride
Also Known As: 3-(2-(Diisobutylamino)ethyl)indole monohydrochloride, INDOLE, 3-(2-(DIISOBUTYLAMINO)ETHYL)-, MONOHYDROCHLORIDE, 2-(1H-indol-3-yl)ethyl-bis(2-methylpropyl)azanium chloride, 1H-Indole-3-ethanamine, N,N-bis(2-methylpropyl)-, monohydrochloride
| Molecular Formula | C18H29ClN2 |
| Molecular Weight | 308.20193 g/mol |
| XLogP | -0.09 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.20193 Da |
| Heavy Atoms | 21 |
| Complexity | 265.0 |
| SMILES | CC(C)C[NH+](CCC1=CNC2=CC=CC=C21)CC(C)C.[Cl-] |
| InChIKey | YGRUUPMNHDXIMV-UHFFFAOYSA-N |
The XLogP value of -0.09 indicates that Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride is 63938-64-7.
The molecular formula of Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride is C18H29ClN2.
The molecular weight of Indole, 3-(2-(diisobutylamino)ethyl)-, monohydrochloride is 308.20193 g/mol.
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