TL;DR: Indole, 3-(2-(2-isobutylamino)ethyl)-, monohydrochloride (CAS 63938-58-9) is a chemical compound with molecular formula C14H21ClN2 and molecular weight 252.13933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-indol-3-yl)ethyl-(2-methylpropyl)azanium chloride
Also Known As: 3-(2-(2-Isobutylamino)ethyl)indole monohydrochloride, INDOLE, 3-(2-(2-ISOBUTYLAMINO)ETHYL)-, MONOHYDROCHLORIDE, 2-(1H-indol-3-yl)ethyl-(2-methylpropyl)azanium chloride, 1H-Indole-3-ethanamine, N-(2-methylpropyl)-, monohydrochloride
| Molecular Formula | C14H21ClN2 |
| Molecular Weight | 252.13933 g/mol |
| XLogP | -1.07 |
| Topological Polar Surface Area (TPSA) | 32.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.13933 Da |
| Heavy Atoms | 17 |
| Complexity | 203.0 |
| SMILES | CC(C)C[NH2+]CCC1=CNC2=CC=CC=C21.[Cl-] |
| InChIKey | LMAWWLWEYRLMSD-UHFFFAOYSA-N |
The XLogP value of -1.07 indicates that Indole, 3-(2-(2-isobutylamino)ethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.4 Ų, Indole, 3-(2-(2-isobutylamino)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(2-(2-isobutylamino)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-(2-isobutylamino)ethyl)-, monohydrochloride is 63938-58-9.
The molecular formula of Indole, 3-(2-(2-isobutylamino)ethyl)-, monohydrochloride is C14H21ClN2.
The molecular weight of Indole, 3-(2-(2-isobutylamino)ethyl)-, monohydrochloride is 252.13933 g/mol.
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