Basic information
- Standard SMILES
COC(=O)c1cc(C)cc(CN(C)Cc2ccco2)c1- InChIKey
MTFQCBCHCLFRLX-UHFFFAOYSA-N- Molecular formula
- C16H19NO3
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.13649347
Names & identifiers
- Preferred name
- Methyl 3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzoate
- IUPAC
- methyl 3-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylbenzoate
Names & synonyms
SCHEMBL3349323MTFQCBCHCLFRLX-UHFFFAOYSA-NMethyl 3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzoate
Database identifiers
- PubChem CID
- 21086145
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
6 records
Compound notes
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