TL;DR: Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate (CAS 1026981-20-3) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
Also Known As: Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate, BOC-2-HYDROXY-2-(2-METHYLPHENYL)-ETHYLAMINE, tert-butyl (2-hydroxy-2-(o-tolyl)ethyl)carbamate
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.15215 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.15215 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | CC1=CC=CC=C1C(CNC(=O)OC(C)(C)C)O |
| InChIKey | PPUZYEMTFZPSIY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate has 2 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 Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate is 1026981-20-3.
The molecular formula of Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate is C14H21NO3.
The molecular weight of Tert-butyl N-[2-hydroxy-2-(2-methylphenyl)ethyl]carbamate is 251.15215 g/mol.
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