TL;DR: Indole, 3-(2-(4-chlorobenzylamino)ethyl)-, monohydrochloride (CAS 63938-62-5) is a chemical compound with molecular formula C17H18Cl2N2 and molecular weight 320.08472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium chloride
Also Known As: 3-(2-(4-Chlorobenzylamino)ethyl)indole monohydrochloride, INDOLE, 3-(2-(4-CHLOROBENZYLAMINO)ETHYL)-, MONOHYDROCHLORIDE, (4-chlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium chloride, 1H-Indole-3-ethanamine, N-[(4-chlorophenyl)methyl]-, monohydrochloride
| Molecular Formula | C17H18Cl2N2 |
| Molecular Weight | 320.08472 g/mol |
| XLogP | 0.13 |
| Topological Polar Surface Area (TPSA) | 32.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.08472 Da |
| Heavy Atoms | 21 |
| Complexity | 289.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=CC=C(C=C3)Cl.[Cl-] |
| InChIKey | MTYIWYMRDBLJAZ-UHFFFAOYSA-N |
The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-(2-(4-chlorobenzylamino)ethyl)-, monohydrochloride. With a topological polar surface area (TPSA) of 32.4 Ų, Indole, 3-(2-(4-chlorobenzylamino)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(2-(4-chlorobenzylamino)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-(4-chlorobenzylamino)ethyl)-, monohydrochloride is 63938-62-5.
The molecular formula of Indole, 3-(2-(4-chlorobenzylamino)ethyl)-, monohydrochloride is C17H18Cl2N2.
The molecular weight of Indole, 3-(2-(4-chlorobenzylamino)ethyl)-, monohydrochloride is 320.08472 g/mol.
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