TL;DR: 4-Amino-2-isopropylphenol (CAS 16750-66-6) is a chemical compound with molecular formula C9H13NO and molecular weight 151.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-propan-2-ylphenol
Also Known As: 4-Amino-2-isopropylphenol, 4-amino-2-propan-2-ylphenol, 2-Isopropyl-4-aminophenol, 4-amino-2-isopropyl-phenol, 2-iso-Propyl-4-aminophenol
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H13NO |
| Molecular Weight | 151.09972 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 Da |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)N)O |
| InChIKey | PTPRBVYPJQMBEI-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-isopropylphenol. With a topological polar surface area (TPSA) of 46.3 Ų, 4-Amino-2-isopropylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-2-isopropylphenol 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 4-Amino-2-isopropylphenol is 16750-66-6.
The molecular formula of 4-Amino-2-isopropylphenol is C9H13NO.
The molecular weight of 4-Amino-2-isopropylphenol is 151.09972 g/mol.
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