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Basic information
- Standard SMILES
CCOc1cc(C(N)C#N)ccc1OC(C)C- InChIKey
XDMRJEUOKHVSBL-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 2-Amino-2-(3-ethoxy-4-isopropoxyphenyl)acetonitrile
- IUPAC
- 2-amino-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetonitrile
Names & synonyms
SCHEMBL4599076XDMRJEUOKHVSBL-UHFFFAOYSA-N2-amino-2-(3-ethoxy-4-isopropoxyphenyl)acetonitrile
Database identifiers
- PubChem CID
- 21920003
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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