TL;DR: 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide (CAS 121771-75-3) is a chemical compound with molecular formula C13H19IN2 and molecular weight 330.0593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-propan-2-yl-2,5-dihydro-1H-3-benzazepin-4-amine;hydroiodide
Also Known As: 4,5-Dihydro-N-(1-methylethyl)-1H-3-benzazepin-2-amine monohydriodide, 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide, 4,5-Dihydro-N(sup 2)-isopropyl-1H-3-benzazepin-2-amin hydrojodid [German], 4,5-Dihydro-N(sup 2)-isopropyl-1H-3-benzazepin-2-amin hydrojodid, N-propan-2-yl-2,5-dihydro-1H-3-benzazepin-4-amine hydroiodide
| Molecular Formula | C13H19IN2 |
| Molecular Weight | 330.0593 g/mol |
| XLogP | 2.7997 |
| Topological Polar Surface Area (TPSA) | 24.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.0593 Da |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| SMILES | CC(C)NC1=NCCC2=CC=CC=C2C1.I |
| InChIKey | MWFNGUHWTREETP-UHFFFAOYSA-N |
The XLogP value of 2.7997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide. With a topological polar surface area (TPSA) of 24.4 Ų, 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide 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 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide is 121771-75-3.
The molecular formula of 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide is C13H19IN2.
The molecular weight of 1H-3-Benzazepin-2-amine, 4,5-dihydro-N-(1-methylethyl)-, monohydriodide is 330.0593 g/mol.
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