TL;DR: 3-(Diethylamino)phenol hydrochloride (CAS 101012-81-1) is a chemical compound with molecular formula C10H16ClNO and molecular weight 201.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(diethylamino)phenol;hydrochloride
Also Known As: Guaiacin B, 3-(Diethylamino)phenol hydrochloride, 3-(Diethylamino)phenol HCl, 3-Diathylaminophenolhydrochlorid, 3-(diethylamino)phenol,hydrochloride
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.09204 g/mol |
| XLogP | 2.6602 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.09204 Da |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
| SMILES | CCN(CC)C1=CC(=CC=C1)O.Cl |
| InChIKey | HSMSOJYADPIIFF-UHFFFAOYSA-N |
The XLogP value of 2.6602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethylamino)phenol hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 3-(Diethylamino)phenol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)phenol hydrochloride 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 3-(Diethylamino)phenol hydrochloride is 101012-81-1.
The molecular formula of 3-(Diethylamino)phenol hydrochloride is C10H16ClNO.
The molecular weight of 3-(Diethylamino)phenol hydrochloride is 201.09204 g/mol.
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