Methyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]amino}methyl)benzoate
Basic information
- Standard SMILES
COC(=O)c1ccc(CNCCc2cc(F)ccc2OC)cc1- InChIKey
FOMGCRHONCQGGL-UHFFFAOYSA-N- Molecular formula
- C18H20FNO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.14272166
Names & identifiers
- Preferred name
- Methyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]amino}methyl)benzoate
- IUPAC
- methyl 4-[[2-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]benzoate
Names & synonyms
SCHEMBL2985236FOMGCRHONCQGGL-UHFFFAOYSA-Nmethyl 4-({[2-(5-fluoro-2-methoxyphenyl)-ethyl]amino}methyl)benzoateMethyl 4-({[2-(5-fluoro-2-methoxyphenyl)ethyl]amino}methyl)benzoate
Database identifiers
- PubChem CID
- 22015000
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 358
Related reactions
2 records
Compound notes
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