Basic information
- Standard SMILES
C#CC(Nc1ccc(C)cc1)c1ccccc1- InChIKey
NGWFWJRMKNRPAL-UHFFFAOYSA-N- Molecular formula
- C16H15N
- Average molar mass
- 221.3 g/mol
Names & identifiers
- Preferred name
- alpha-Ethynyl-N-(p-tolyl)-benzenemethanamine
- IUPAC
- 4-methyl-N-(1-phenylprop-2-ynyl)aniline
Names & synonyms
SCHEMBL3292771NGWFWJRMKNRPAL-UHFFFAOYSA-Nalpha-Ethynyl-N-(p-tolyl)-benzenemethanamine
Database identifiers
- PubChem CID
- 86607474
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
2 records
Compound notes
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