Basic information
- Standard SMILES
COC(=O)c1ccc(CCNCc2ccccn2)cc1- InChIKey
DLQLUTXKAMXJPG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- Methyl 4-(2-(2-picolylamino)ethyl)benzoate
- IUPAC
- methyl 4-[2-(pyridin-2-ylmethylamino)ethyl]benzoate
Names & synonyms
SCHEMBL6019287DLQLUTXKAMXJPG-UHFFFAOYSA-NMethyl 4-(2-(2-picolylamino)ethyl)benzoate
Database identifiers
- PubChem CID
- 21973687
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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