TL;DR: 3-(1-(Dimethylamino)ethyl)phenol hydrochloride (CAS 105601-04-5) 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-[1-(dimethylamino)ethyl]phenol;hydrochloride
Also Known As: Cyclohexanone,4-hexyl, Rivastigmine Impurity N10, 3-(1-(Dimethylamino)ethyl)phenol hydrochloride, 3-[1-(dimethylamino)ethyl]phenol hydrochloride, NIOSH/SL1220000
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.09204 g/mol |
| XLogP | 2.4366 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.09204 Da |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
| SMILES | CC(C1=CC(=CC=C1)O)N(C)C.Cl |
| InChIKey | HYSDCAISHZHIRV-UHFFFAOYSA-N |
The XLogP value of 2.4366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-(Dimethylamino)ethyl)phenol hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 3-(1-(Dimethylamino)ethyl)phenol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-(Dimethylamino)ethyl)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-(1-(Dimethylamino)ethyl)phenol hydrochloride is 105601-04-5.
The molecular formula of 3-(1-(Dimethylamino)ethyl)phenol hydrochloride is C10H16ClNO.
The molecular weight of 3-(1-(Dimethylamino)ethyl)phenol hydrochloride is 201.09204 g/mol.
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