Basic information
- CAS
27779-21-1- Standard SMILES
CCOc1ccc(C(CN(C)C)C(C)CC)cc1F- InChIKey
ITYOSSYGTWUQNH-UHFFFAOYSA-N- Molecular formula
- C16H26FNO
- Average molar mass
- 267.38 g/mol
- Monoisotopic mass
- 267.19984261
Names & identifiers
- Preferred name
- 4-Ethoxy-3-fluoro-N,N-dimethyl-beta-(1-methylpropyl)benzeneethanamine
- IUPAC
- 2-(4-ethoxy-3-fluorophenyl)-N,N,3-trimethylpentan-1-amine
- English name
- 4-Ethoxy-3-fluoro-N,N-dimethyl-β-(1-methylpropyl)benzeneethanamine
- Molecular formula
- C16H26FNO
- Molecular weight
- 267.38
Names & synonyms
27779-21-14-Ethoxy-3-fluoro-N,N-dimethyl-beta-(1-methylpropyl)benzeneethanamineRefChem:1070587BRN 2810510beta-sec-Butyl-N,N-dimethyl-4-ethoxy-3-fluorophenethylamine2-(4-ethoxy-3-fluorophenyl)-n,n,3-trimethylpentan-1-aminePhenethylamine, beta-(sec-butyl)-N,N-dimethyl-4-ethoxy-3-fluoro-DTXSID909504694-Ethoxy-3-fluoro-N,N-dimethyl-β-(1-methylpropyl)benzeneethanamineBenzeneethanamine, 4-ethoxy-3-fluoro-N,N-dimethyl-β-(1-methylpropyl)-
Database identifiers
- CAS
27779-21-1- PubChem CID
- 214151
- DTXSID
DTXSID90950469- Nikkaji
- J50.027E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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