4-ethoxy-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline
Basic information
- CAS
36236-41-6- Standard SMILES
CCOc1ccc(NC(c2ccc(OCC)cc2)C(Cl)(Cl)Cl)cc1- InChIKey
VTFLAWCXALCABF-UHFFFAOYSA-N- Molecular formula
- C18H20Cl3NO2
- Average molar mass
- 388.7 g/mol
- Monoisotopic mass
- 387.055962
Names & identifiers
- Preferred name
- 4-ethoxy-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline
- IUPAC
- 4-ethoxy-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline
Names & synonyms
4-ethoxy-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline36236-41-6SCHEMBL11782898DTXSID20275399
Database identifiers
- CAS
36236-41-6- PubChem CID
- 37406
- DTXSID
DTXSID20275399- Nikkaji
- J1.618.405E
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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