Basic information
- CAS
14795-41-6- Standard SMILES
COc1ccc(C(C#N)(CCN(C)C)C(C)C)cc1- InChIKey
KHMNBVSNVDQBAP-UHFFFAOYSA-N- Molecular formula
- C16H24N2O
- Average molar mass
- 260.37 g/mol
- Monoisotopic mass
- 260.18886339
Names & identifiers
- Preferred name
- Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-methoxyphenyl)-
- IUPAC
- 2-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-methylbutanenitrile
Names & synonyms
BRN 21319234-(Dimethylamino)-2-isopropyl-2-(p-methoxyphenyl)butyronitrile14795-41-6BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-(p-METHOXYPHENYL)-RefChem:331358DTXSID109332542-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-3-methylbutanenitrile
Database identifiers
- CAS
14795-41-6- PubChem CID
- 26909
- DTXSID
DTXSID10933254
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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