TL;DR: 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde (CAS 100615-20-1) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(dimethylamino)ethyl]indole-3-carbaldehyde
Also Known As: 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde, 1-(2-(Dimethylamino)ethyl)-1H-indole-3-carbaldehyde, 1-[2-(dimethylamino)ethyl]indole-3-carbaldehyde, BAS 10146529, 1-[2-(Dimethylamino)ethyl]-1H-indole-3-carbaldehyde
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 25.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | CN(C)CCN1C=C(C2=CC=CC=C21)C=O |
| InChIKey | JJMHZYQXLTUJKA-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde. With a topological polar surface area (TPSA) of 25.2 Ų, 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde has 0 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 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde is 100615-20-1.
The molecular formula of 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde is C13H16N2O.
The molecular weight of 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde is 216.12627 g/mol.
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