Basic information
- Standard SMILES
Cc1cc(CN(C)Cc2ccco2)cc(C(=O)O)c1- InChIKey
HYTPCGABLSPKSR-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 3-{[(2-Furylmethyl)(methyl)amino]methyl}-5-methylbenzoic Acid
- IUPAC
- 3-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylbenzoic acid
Names & synonyms
SCHEMBL3349377HYTPCGABLSPKSR-UHFFFAOYSA-N3-{[(2-Furylmethyl)(methyl)amino]methyl}-5-methylbenzoic Acid
Database identifiers
- PubChem CID
- 21085669
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
5 records
Compound notes
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