TL;DR: Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- (CAS 108692-71-3) is a chemical compound with molecular formula C16H26ClNO2 and molecular weight 299.1652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6R)-2-(tert-butylamino)-6-phenoxycyclohexan-1-ol;hydrochloride
Also Known As: Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)-, (1-alpha,2-beta,6-beta)-2-((1,1-Dimethylethyl)amino)-6-phenoxycyclohexanol hydrochloride, (1R,2S,6R)-2-(tert-butylamino)-6-phenoxycyclohexan-1-ol hydrochloride, (1R,2S,6R)-2-(tert-Butylamino)-6-phenoxycyclohexan-1-ol--hydrogen chloride (1/1)
| Molecular Formula | C16H26ClNO2 |
| Molecular Weight | 299.1652 g/mol |
| XLogP | 3.1573 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1652 Da |
| Heavy Atoms | 20 |
| Complexity | 268.0 |
| SMILES | CC(C)(C)N[C@H]1CCC[C@H]([C@@H]1O)OC2=CC=CC=C2.Cl |
| InChIKey | YWOWDMLXJDRRBN-ONAKXNSWSA-N |
The XLogP value of 3.1573 indicates that Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- is 108692-71-3.
The molecular formula of Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- is C16H26ClNO2.
The molecular weight of Cyclohexanol, 2-((1,1-dimethylethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)- is 299.1652 g/mol.
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