3-(Benzylamino-methyl)-benzoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1cccc(CNCc2ccccc2)c1- InChIKey
HBPUVIARTMVZHB-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
Names & identifiers
- Preferred name
- 3-(Benzylamino-methyl)-benzoic acid methyl ester
- IUPAC
- methyl 3-[(benzylamino)methyl]benzoate
Names & synonyms
SCHEMBL308038HBPUVIARTMVZHB-UHFFFAOYSA-N3-(benzylamino-methyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 59190859
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Related reactions
4 records
Compound notes
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