Basic information
- Standard SMILES
COC(=O)c1cc(C)cc(CN(C)CC(C)C)c1- InChIKey
RRRZEKQZVIWNOQ-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
Names & identifiers
- Preferred name
- Methyl 3-{[isobutyl(methyl)amino]methyl}-5-methylbenzoate
- IUPAC
- methyl 3-methyl-5-[[methyl(2-methylpropyl)amino]methyl]benzoate
Names & synonyms
SCHEMBL3348034RRRZEKQZVIWNOQ-UHFFFAOYSA-NMethyl 3-{[isobutyl(methyl)amino]methyl}-5-methylbenzoate
Database identifiers
- PubChem CID
- 21086186
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
5 records
Compound notes
Loading…