2-[(Tert-butylamino)methyl]-1-phenylprop-2-en-1-one
Basic information
- CAS
75030-61-4- Standard SMILES
C=C(CNC(C)(C)C)C(=O)c1ccccc1- InChIKey
YUPVNIGQCFOHNH-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 2-[(Tert-butylamino)methyl]-1-phenylprop-2-en-1-one
- IUPAC
- 2-[(tert-butylamino)methyl]-1-phenylprop-2-en-1-one
Names & synonyms
75030-61-42-[(tert-butylamino)methyl]-1-phenylprop-2-en-1-oneNSC313429SCHEMBL15245114DTXSID30317259NSC-313429
Database identifiers
- CAS
75030-61-4- PubChem CID
- 329638
- DTXSID
DTXSID30317259
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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