TL;DR: 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride (CAS 10565-83-0) is a chemical compound with molecular formula C19H24ClNO and molecular weight 317.15463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-[3-(1-phenyl-3,4-dihydroisochromen-1-yl)propyl]azanium chloride
Also Known As: LU 3-036, 1-ISOCHROMANPROPYLAMINE, N-METHYL-1-PHENYL-, HYDROCHLORIDE, Isochroman, 1-(3-methylaminopropyl)-1-phenyl-, hydrochloride, methyl-[3-(1-phenyl-3,4-dihydroisochromen-1-yl)propyl]azanium chloride, methyl-[3-(1-phenyl-3,4-dihydroisochromen-1-yl)propyl]azanium
| Molecular Formula | C19H24ClNO |
| Molecular Weight | 317.15463 g/mol |
| XLogP | -0.52 |
| Topological Polar Surface Area (TPSA) | 25.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.15463 Da |
| Heavy Atoms | 22 |
| Complexity | 313.0 |
| SMILES | C[NH2+]CCCC1(C2=CC=CC=C2CCO1)C3=CC=CC=C3.[Cl-] |
| InChIKey | IQNOBTBYHWYITG-UHFFFAOYSA-N |
The XLogP value of -0.52 indicates that 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.8 Ų, 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride has 1 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-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride is 10565-83-0.
The molecular formula of 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride is C19H24ClNO.
The molecular weight of 1-Isochromanpropylamine, N-methyl-1-phenyl-, hydrochloride is 317.15463 g/mol.
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