Basic information
- Standard SMILES
COC(=O)c1ccc([C@@H](N)c2ccc(Cl)cc2)cc1- InChIKey
XIEPBXPROMTTCT-CQSZACIVSA-N- Molecular formula
- C15H14ClNO2
- Average molar mass
- 275.73 g/mol
Names & identifiers
- Preferred name
- methyl(+)-4-[(R*)-amino-(4-chlorophenyl)methyl]benzoate
- IUPAC
- methyl 4-[(R)-amino-(4-chlorophenyl)methyl]benzoate
Names & synonyms
SCHEMBL6011477XIEPBXPROMTTCT-CQSZACIVSA-Nmethyl (+)-4-[(R*)-amino-(4-chlorophenyl)methyl]benzoatemethyl(+)-4-[(R*)-amino-(4-chlorophenyl)methyl]benzoatemethyl(-)-4-[1-(R*)-amino-1-(4-chlorophenyl)methyl]benzoate
Database identifiers
- PubChem CID
- 69635624
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
3 records
Compound notes
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