TL;DR: 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride (CAS 102879-17-4) is a chemical compound with molecular formula C9H12Cl3NO and molecular weight 254.99844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dichloro-4-[(dimethylamino)methyl]phenol;hydrochloride
Also Known As: 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride, 2,6-dichloro-4-[(dimethylamino)methyl]phenol;hydrochloride, 2,6-dichloro-4-(dimethylaminomethyl)phenol Hydrochloride, 2,6-Dichloro-4-((dimethylamino)methyl)phenol hydrochloride, AldrichCPR, 2,6-Dichloro-4-[(dimethylamino)methyl]phenol--hydrogen chloride (1/1)
| Molecular Formula | C9H12Cl3NO |
| Molecular Weight | 254.99844 g/mol |
| XLogP | 3.1824 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.99844 Da |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
| SMILES | CN(C)CC1=CC(=C(C(=C1)Cl)O)Cl.Cl |
| InChIKey | RINBBBVSUOHQSH-UHFFFAOYSA-N |
The XLogP value of 3.1824 indicates that 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-4-[(Dimethylamino)Methyl]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 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride is 102879-17-4.
The molecular formula of 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride is C9H12Cl3NO.
The molecular weight of 2,6-Dichloro-4-[(Dimethylamino)Methyl]Phenol Hydrochloride is 254.99844 g/mol.
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