3-((-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl-1,4-dioxane(1,2-b)naphthalene
Basic information
- CAS
91677-53-1- Standard SMILES
COc1cccc(OC)c1OCCNCC1COc2c(ccc3ccccc23)O1- InChIKey
HFGUYKOYVYVGCO-UHFFFAOYSA-N- Molecular formula
- C23H25NO5
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.1732729
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-((-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl-1,4-dioxane(1,2-b)naphthalene
- IUPAC
- N-(2,3-dihydrobenzo[h][1,4]benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
- English name
- 3-((-(2,6-dimethoxyphenoxy)ethyl)amino)methyl-1,4-dioxane(1,2-b)naphthalene
- Molecular formula
- C23H25NO5
- Molecular weight
- 395.45
Names & synonyms
Dpeamdn91677-53-13-((-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl-1,4-dioxane(1,2-b)naphthaleneRefChem:91957N-(2,3-dihydrobenzo[h][1,4]benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamineDTXSID10919598N-[(2,3-Dihydronaphtho[1,2-b][1,4]dioxin-3-yl)methyl]-2-(2,6-dimethoxyphenoxy)ethan-1-amineNaphtho(1,2-b)-1,4-dioxin-3-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, (Z,E,E,E,E)-Naphtho[1,2-b]-1,4-dioxin-3-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-
Database identifiers
- CAS
91677-53-1- PubChem CID
- 146334
- DTXSID
DTXSID10919598
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Boiling point
- 550.2 · 550.2±50.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 7.68 · 7.68±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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