TL;DR: 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride (CAS 56287-51-5) is a chemical compound with molecular formula C15H24ClNO3 and molecular weight 301.14447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]azanium chloride
Also Known As: 2-(2-(3-(Dimethylamino)propoxy)ethyl)-2-methyl-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-(2-(3-(DIMETHYLAMINO)PROPOXY)ETHYL)-2-METHYL-, HYDROCHLORIDE, DIMETHYL-[3-[2-(2-METHYL-1,3-BENZODIOXOL-2-YL)ETHOXY]PROPYL]AZANIUMCHLORIDE, 1-Propanamine, N,N-dimethyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]-, hydrochloride, dimethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]azanium chloride
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H24ClNO3 |
| Molecular Weight | 301.14447 g/mol |
| XLogP | -1.88 |
| Topological Polar Surface Area (TPSA) | 32.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.14447 Da |
| Heavy Atoms | 20 |
| Complexity | 256.0 |
| SMILES | CC1(OC2=CC=CC=C2O1)CCOCCC[NH+](C)C.[Cl-] |
| InChIKey | DKLOCIFHLCTOML-UHFFFAOYSA-N |
The XLogP value of -1.88 indicates that 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride is 56287-51-5.
The molecular formula of 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride is C15H24ClNO3.
The molecular weight of 1,3-Benzodioxole, 2-(2-(3-(dimethylamino)propoxy)ethyl)-2-methyl-, hydrochloride is 301.14447 g/mol.
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