Basic information
- Standard SMILES
COCCN(C)Cc1cc(C)cc(C(=O)O)c1- InChIKey
HKBSJJXGWZREOL-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
Names & identifiers
- Preferred name
- 3-{[(2-Methoxyethyl)(methyl)amino]methyl}-5-methylbenzoic Acid
- IUPAC
- 3-[[2-methoxyethyl(methyl)amino]methyl]-5-methylbenzoic acid
Names & synonyms
SCHEMBL3351726HKBSJJXGWZREOL-UHFFFAOYSA-N3-{[(2-Methoxyethyl)(methyl)amino]methyl}-5-methylbenzoic Acid
Database identifiers
- PubChem CID
- 21085671
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Related reactions
5 records
Compound notes
Loading…