Basic information
- Standard SMILES
CC(C)c1ccc(C#Cc2cccnc2N)cc1- InChIKey
MSWWJLDREWEZFO-UHFFFAOYSA-N- Molecular formula
- C16H16N2
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- 3-{[4-(1-Methylethyl)phenyl]ethynyl}pyridin-2-amine
- IUPAC
- 3-[2-(4-propan-2-ylphenyl)ethynyl]pyridin-2-amine
Names & synonyms
SCHEMBL623035MSWWJLDREWEZFO-UHFFFAOYSA-N3-{[4-(1-methylethyl)phenyl]ethynyl}pyridin-2-amine
Database identifiers
- PubChem CID
- 66747710
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
14 records
Compound notes
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