Basic information
- Standard SMILES
COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C#N- InChIKey
MZPFWCGFHDLWDE-UHFFFAOYSA-N- Molecular formula
- C15H22N2O
- Average molar mass
- 246.35 g/mol
Names & identifiers
- Preferred name
- 2-(3-Amino-5-tert-butyl-2-methoxyphenyl)-2-methylpropanenitrile
- IUPAC
- 2-(3-amino-5-tert-butyl-2-methoxyphenyl)-2-methylpropanenitrile
Names & synonyms
SCHEMBL10319678MZPFWCGFHDLWDE-UHFFFAOYSA-N2-(3-amino-5-tert-butyl-2-methoxyphenyl)-2-methylpropanenitrile
Database identifiers
- PubChem CID
- 68107245
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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