TL;DR: (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl (CAS 133994-77-1) is a chemical compound with molecular formula C23H29ClN2O2 and molecular weight 400.19174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(tert-butylamino)-3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol;hydrochloride
Also Known As: (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl, 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-, monohydrochloride, (+-)-, 1-(tert-butylamino)-3-[2-[1-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol hydrochloride, 1-(tert-Butylamino)-3-{2-[1-(1H-indol-4-yl)ethen-1-yl]phenoxy}propan-2-ol--hydrogen chloride (1/1), 1-(tert-Butylamino)-3-{2-[1-(1H-indol-4-yl)ethenyl]phenoxy}propan-2-ol--hydrogen chloride (1/1)
| Molecular Formula | C23H29ClN2O2 |
| Molecular Weight | 400.19174 g/mol |
| XLogP | 4.779 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.19174 Da |
| Heavy Atoms | 28 |
| Complexity | 487.0 |
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C(=C)C2=C3C=CNC3=CC=C2)O.Cl |
| InChIKey | MHDZFFQTBGZNHW-UHFFFAOYSA-N |
The XLogP value of 4.779 indicates that (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl has 4 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 (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl is 133994-77-1.
The molecular formula of (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl is C23H29ClN2O2.
The molecular weight of (+-)-3-((1,1-Dimethylethyl)amino)-(2-(1-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl is 400.19174 g/mol.
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