TL;DR: 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- (CAS 101771-76-0) is a chemical compound with molecular formula C17H25N and molecular weight 243.1987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,13-dimethyl-10-propyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Also Known As: 2-N-Propyl-5,9-dimethyl-3,4:6,7-dibenzomorphan, 6,11-Dimethyl-3-propyl-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-propyl-, 6,11-Dimethyl-1,2,3,4,5,6-hexahydro-3-propyl-2,6-methano-3-benzazocine, 1,13-dimethyl-10-propyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
| Molecular Formula | C17H25N |
| Molecular Weight | 243.1987 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.1987 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CCCN1CCC2(C(C1CC3=CC=CC=C32)C)C |
| InChIKey | OTNBMQNPZPSSLH-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- 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 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- is 101771-76-0.
The molecular formula of 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- is C17H25N.
The molecular weight of 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-propyl- is 243.1987 g/mol.
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