Basic information
- Standard SMILES
COC(=O)c1cccc(F)c1NCCN(C)C- InChIKey
JTNPLQBFHUUJCO-UHFFFAOYSA-N- Molecular formula
- C12H17FN2O2
- Average molar mass
- 240.27 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-(dimethylamino)ethylamino)-3-fluorobenzoate
- IUPAC
- methyl 2-[2-(dimethylamino)ethylamino]-3-fluorobenzoate
Names & synonyms
SCHEMBL2102977JTNPLQBFHUUJCO-UHFFFAOYSA-Nmethyl 2-(2-(dimethylamino)ethylamino)-3-fluorobenzoate
Database identifiers
- PubChem CID
- 57774398
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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