2-{[(2,4,6-Trimethylphenyl)methyl]amino}benzoic acid
Basic information
- CAS
88744-58-5- Standard SMILES
Cc1cc(C)c(CNc2ccccc2C(=O)O)c(C)c1- InChIKey
TVNUDHOJMLTBAQ-UHFFFAOYSA-N- Molecular formula
- C17H19NO2
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.14157885
Names & identifiers
- Preferred name
- 2-{[(2,4,6-Trimethylphenyl)methyl]amino}benzoic acid
- IUPAC
- 2-[(2,4,6-trimethylphenyl)methylamino]benzoic acid
Names & synonyms
88744-58-52-{[(2,4,6-Trimethylphenyl)methyl]amino}benzoic acidDTXSID80655835AKOS009311989Z381346350
Database identifiers
- CAS
88744-58-5- PubChem CID
- 43322142
- DTXSID
DTXSID80655835
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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