TL;DR: 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) (CAS 100252-09-3) is a chemical compound with molecular formula C12H20ClNOS and molecular weight 261.0954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-2-propylsulfanylethanamine;hydrochloride
Also Known As: Phenethylamine, p-methoxy-beta-(propylthio)-, hydrochloride, beta-(4-Methoxyphenyl)-beta-propylthioethylamine hydrochloride, 2-(4-methoxyphenyl)-2-propylsulfanylethanamine hydrochloride, 2-(4-methoxyphenyl)-2-propylsulfanylethanamine,hydrochloride, 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C12H20ClNOS |
| Molecular Weight | 261.0954 g/mol |
| XLogP | 3.26 |
| Topological Polar Surface Area (TPSA) | 60.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.0954 Da |
| Heavy Atoms | 16 |
| Complexity | 158.0 |
| SMILES | CCCSC(CN)C1=CC=C(C=C1)OC.Cl |
| InChIKey | FDRHSPREHLNFIF-UHFFFAOYSA-N |
The XLogP value of 3.26 indicates that 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) is 100252-09-3.
The molecular formula of 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) is C12H20ClNOS.
The molecular weight of 2-(4-Methoxyphenyl)-2-(propylsulfanyl)ethan-1-amine--hydrogen chloride (1/1) is 261.0954 g/mol.
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