Basic information
- CAS
2600-77-3- Standard SMILES
CCN(CC)CCOc1c(Cl)cc(Cl)cc1-c1ccccc1- InChIKey
KXSPENPMFKDOFS-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2NO
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 337.10001965
Overview
RN given refers to parent cpd; Lilly 18947 refers to HBr salt
Names & identifiers
- Preferred name
- Lilly 18947
- IUPAC
- 2-(2,4-dichloro-6-phenylphenoxy)-N,N-diethylethanamine
- English name
- Ethanamine, 2-((3,5-dichloro(1,1'-biphenyl)-2-yl)oxy)-N,N-diethyl-, hydrobromide
- Molecular weight
- 0
Names & synonyms
Lilly 189472600-77-3RefChem:153449Lilly-18947LY 189472,4-dichloro-6-phenylphenoxyethyl diethylamine.HBrN,N-Diethyl-2-(2,4-dichloro-6-phenylphenoxy)ethylamine2-(2,4-dichloro-6-phenylphenoxy)-N,N-diethylethanamine2-((3,5-dichloro-[1,1'-biphenyl]-2-yl)oxy)-N,N-diethylethan-1-amineEthanamine, 2-[(3,5-dichloro[1,1'-biphenyl]-2-yl)oxy]-N,N-diethyl-Ethanamine, 2-((3,5-dichloro(1,1'-biphenyl)-2-yl)oxy)-N,N-diethyl-Lilly 18947 hydrobromide
Show more names
2,4-Dichloro-6-phenylphenoxyethyldiethylamine hydrobromideTriethylamine, 2-((3,5-dichloro-2-biphenylyl)oxy)-, hydrobromideEthanamine, 2-((3,5-dichloro(1,1'-biphenyl)-2-yl)oxy)-N,N-diethyl-, hydrobromide
5957-22-2Lilly 18947 (free base)orb1702008SCHEMBL2065922LY 18947 (for hydrobromide)DTXSID50948903AKOS040747091CS-0067603
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 131 · 131-132 °C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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