TL;DR: 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol (CAS 1005266-85-2) is a chemical compound with molecular formula C12H23NO and molecular weight 197.17796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylamino]ethanol
Also Known As: 2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylamino]ethanol, 2-(((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)amino)ethanol, 2-[(2,4,6-trimethyl-1-cyclohex-3-enyl)methylamino]ethanol, 2-{[(2,4,6-trimethylcyclohex-3-enyl)methyl]amino}ethan-1-ol, 2-{[(2,4,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)METHYL]AMINO}ETHANOL
| Molecular Formula | C12H23NO |
| Molecular Weight | 197.17796 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.17796 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | CC1CC(=CC(C1CNCCO)C)C |
| InChIKey | VOAIBLFABWQTSQ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol. With a topological polar surface area (TPSA) of 32.3 Ų, 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol has 2 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 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol is 1005266-85-2.
The molecular formula of 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol is C12H23NO.
The molecular weight of 2-[(2,4,6-Trimethylcyclohex-3-en-1-yl)methylamino]ethanol is 197.17796 g/mol.
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