TL;DR: 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride (CAS 63977-47-9) is a chemical compound with molecular formula C14H24ClNO2 and molecular weight 273.14957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethoxyphenyl)propan-2-yl-trimethylazanium chloride
Also Known As: Ammonium, 1-(2',5'-dimethoxyphenyl)isopropyltrimethyl-, chloride, 1-(2,5-dimethoxyphenyl)propan-2-yl-trimethylazanium chloride, AMMONIUM, (2,5-DIMETHOXY-alpha-METHYLPHENETHYL)TRIMETHYL-, CHLORIDE, Isopropylamine, 1-(2',5'-dimethoxyphenyl)-N,N-dimethyl-, methyl chloride, 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride
| Molecular Formula | C14H24ClNO2 |
| Molecular Weight | 273.14957 g/mol |
| XLogP | -0.65 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.14957 Da |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
| SMILES | CC(CC1=C(C=CC(=C1)OC)OC)[N+](C)(C)C.[Cl-] |
| InChIKey | GFLRGUVCYHGCGC-UHFFFAOYSA-M |
The XLogP value of -0.65 indicates that 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride has 0 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 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride is 63977-47-9.
The molecular formula of 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride is C14H24ClNO2.
The molecular weight of 1-(2,5-Dimethoxyphenyl)-N,N,N-trimethylpropan-2-aminium chloride is 273.14957 g/mol.
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