Basic information
- CAS
271243-24-4- Standard SMILES
O=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1- InChIKey
LVLFRFFNPLOMON-UHFFFAOYSA-N- Molecular formula
- C22H21NO2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15722891
Names & identifiers
- Preferred name
- 4-((Dibenzylamino)methyl)benzoic acid
- IUPAC
- 4-[(dibenzylamino)methyl]benzoic acid
Names & synonyms
4-((dibenzylamino)methyl)benzoic acid271243-24-44-[(dibenzylamino)methyl]benzoic acidSCHEMBL4743378CHEMBL3092286LVLFRFFNPLOMON-UHFFFAOYSA-NDTXSID601248275DB-1057404-[[Bis(phenylmethyl)amino]methyl]benzoic acid
Database identifiers
- CAS
271243-24-4- PubChem CID
- 22688012
- DTXSID
DTXSID601248275- ChEMBL
CHEMBL3092286- Nikkaji
- J1.282.145J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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