Basic information
- Standard SMILES
CCN(CC)CCN(C)Cc1cc(C)cc(C(=O)O)c1- InChIKey
JBECVVWVXZHDCI-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
Names & identifiers
- Preferred name
- 3-{[[2-(Diethylamino)ethyl](methyl)amino]methyl}-5-methylbenzoic Acid
- IUPAC
- 3-[[2-(diethylamino)ethyl-methylamino]methyl]-5-methylbenzoic acid
Names & synonyms
SCHEMBL3351286JBECVVWVXZHDCI-UHFFFAOYSA-N3-{[[2-(Diethylamino)ethyl](methyl)amino]methyl}-5-methylbenzoic Acid
Database identifiers
- PubChem CID
- 21085665
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 292
Related reactions
5 records
Compound notes
Loading…