TL;DR: 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride (CAS 130260-20-7) is a chemical compound with molecular formula C17H28Cl2N2O and molecular weight 346.15787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yloxy)-N,N-dimethylpropan-1-amine;dihydrochloride
Also Known As: 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride, Butanoic acid,2,4,4-trichloro-4-cyano-,methyl ester, N,N-Dimethyl-3-[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)oxy]propan-1-amine--hydrogen chloride (1/2)
| Molecular Formula | C17H28Cl2N2O |
| Molecular Weight | 346.15787 g/mol |
| XLogP | 3.5595 |
| Topological Polar Surface Area (TPSA) | 15.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.15787 Da |
| Heavy Atoms | 22 |
| Complexity | 287.0 |
| SMILES | CN(C)CCCOC1=CC2=C3C(=C1)CCCN3CCC2.Cl.Cl |
| InChIKey | XFXLLYWYOPCNRN-UHFFFAOYSA-N |
The XLogP value of 3.5595 indicates that 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride is 130260-20-7.
The molecular formula of 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride is C17H28Cl2N2O.
The molecular weight of 1-Propanamine, N,N-dimethyl-3-((2,3,6,7-tetrahydro-1H,5H-benzo(ij)quinolizin-9-yl)oxy)-, dihydrochloride is 346.15787 g/mol.
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