o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
Basic information
- CAS
29214-99-1- Standard SMILES
CN(C)CCOC(c1ccccc1)c1ccccc1C(=O)O- InChIKey
WUUSQCWWYKMINX-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
- IUPAC
- 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
Names & synonyms
BRN 2666641o-(alpha-(2-(Dimethylamino)ethoxy)benzyl)benzoic acid29214-99-1alpha-(2-(Dimethylamino)ethoxy)-alpha-phenyl-o-toluic acido-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-RefChem:366568DTXSID309518142-{[2-(dimethylamino)ethoxy](phenyl)methyl}benzoic acid
Database identifiers
- CAS
29214-99-1- PubChem CID
- 207128
- DTXSID
DTXSID30951814
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…