TL;DR: 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- (CAS 54951-29-0) is a chemical compound with molecular formula C14H20N2O and molecular weight 232.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(dimethylamino)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: 5-21-08-00097 (Beilstein Handbook Reference), 1H-1-BENZAZEPIN-2-ONE, 2,3,4,5-TETRAHYDRO-1-(2-(DIMETHYLAMINO)ETHYL)-, 1H-1-Benzazepin-2-one, 1-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-, 2,3,4,5-Tetrahydro-1-[2- ethyl]-1H-1-benzazepin-2-one, 1-(2-dimethylaminoethyl)-4,5-dihydro-3H-1-benzazepin-2-one
| Molecular Formula | C14H20N2O |
| Molecular Weight | 232.15756 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.15756 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | CN(C)CCN1C(=O)CCCC2=CC=CC=C21 |
| InChIKey | TWCFVUDIMLCADK-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)-. With a topological polar surface area (TPSA) of 23.6 Ų, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- 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 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- is 54951-29-0.
The molecular formula of 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- is C14H20N2O.
The molecular weight of 1H-1-Benzazepin-2-one, 2,3,4,5-tetrahydro-1-(2-(dimethylamino)ethyl)- is 232.15756 g/mol.
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