Basic information
- Standard SMILES
Cc1ccc(C(N[C@@H](C)c2ccccc2)c2cccc(N)c2)cc1C- InChIKey
LJYPHGFQBCKJES-XNUZUHMRSA-N- Molecular formula
- C23H26N2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.20959884
Names & identifiers
- Preferred name
- 3-{(3,4-Dimethylphenyl)-[(S)-1-phenylethylamino]methyl}phenylamine
- IUPAC
- 3-[(3,4-dimethylphenyl)-[[(1S)-1-phenylethyl]amino]methyl]aniline
Names & synonyms
SCHEMBL7785651LJYPHGFQBCKJES-XNUZUHMRSA-N3-{(3,4-Dimethylphenyl)-[(S)-1-phenylethylamino]methyl}phenylamine
Database identifiers
- PubChem CID
- 70189331
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Related reactions
2 records
Compound notes
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