TL;DR: 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 1216854-09-9) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
Also Known As: F1386-0131, 1-((4-isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 6,7-dimethoxy-1-{[4-(propan-2-yl)phenoxy]methyl}-1,2,3,4-tetrahydroisoquinoline, 6,7-dimethoxy-1-[(4-propan-2-ylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline, 1-(4-isopropylphenoxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C21H27NO3 |
| Molecular Weight | 341.1991 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 39.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1991 Da |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
| SMILES | CC(C)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2)OC)OC |
| InChIKey | SXEUGKGJVRBMOH-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.7 Ų, 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 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-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 1216854-09-9.
The molecular formula of 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is C21H27NO3.
The molecular weight of 1-((4-Isopropylphenoxy)methyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is 341.1991 g/mol.
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