TL;DR: N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride (CAS 1147217-04-6) is a chemical compound with molecular formula C21H30BrCl2N3O3 and molecular weight 521.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
Also Known As: N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride, N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-morpholin-4-ylpropan-1-amine dihydrochloride
| Molecular Formula | C21H30BrCl2N3O3 |
| Molecular Weight | 521.0848 g/mol |
| XLogP | 4.0872 |
| Topological Polar Surface Area (TPSA) | 55.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.0848 Da |
| Heavy Atoms | 30 |
| Complexity | 426.0 |
| SMILES | COC1=C(C(=CC(=C1)CNCCCN2CCOCC2)Br)OCC3=CN=CC=C3.Cl.Cl |
| InChIKey | UIAVWDPEYYUXOU-UHFFFAOYSA-N |
The XLogP value of 4.0872 indicates that N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride is 1147217-04-6.
The molecular formula of N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride is C21H30BrCl2N3O3.
The molecular weight of N-(3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl)-3-morpholinopropan-1-amine dihydrochloride is 521.0848 g/mol.
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