TL;DR: 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine (CAS 101771-75-9) is a chemical compound with molecular formula C22H27N and molecular weight 305.21436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Also Known As: 2-N-Phenethyl-5,9-dimethyl-3,4:6,7-dibenzomorphan, 6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-, 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine, 1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
| Molecular Formula | C22H27N |
| Molecular Weight | 305.21436 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.21436 Da |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
| SMILES | CC1C2CC3=CC=CC=C3C1(CCN2CCC4=CC=CC=C4)C |
| InChIKey | SGXBPYRLEVHESA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is 101771-75-9.
The molecular formula of 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is C22H27N.
The molecular weight of 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocine is 305.21436 g/mol.
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