TL;DR: 1-(4-Chlorophenyl)-2-(methylamino)ethanol (CAS 131043-89-5) is a chemical compound with molecular formula C9H12ClNO and molecular weight 185.06075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-(methylamino)ethanol
Also Known As: 1-(4-chlorophenyl)-2-(methylamino)ethan-1-ol, 1-(4-chlorophenyl)-2-(methylamino)ethanol, p-Chlorphenylaethanolmethylamin, NIOSH/DN9505000, p-Chlorphenylaethanolmethylamin [German]
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.06075 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.06075 Da |
| Heavy Atoms | 12 |
| Complexity | 124.0 |
| SMILES | CNCC(C1=CC=C(C=C1)Cl)O |
| InChIKey | PRHFCODVVHEZRP-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-(methylamino)ethanol. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(4-Chlorophenyl)-2-(methylamino)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(methylamino)ethanol 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 1-(4-Chlorophenyl)-2-(methylamino)ethanol is 131043-89-5.
The molecular formula of 1-(4-Chlorophenyl)-2-(methylamino)ethanol is C9H12ClNO.
The molecular weight of 1-(4-Chlorophenyl)-2-(methylamino)ethanol is 185.06075 g/mol.
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