Tert-butyl 2-(4-(2-aminoethyl)phenylthio)-2-methylpropanoate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CCN)cc1- InChIKey
RBWSVDKKZKPEHT-UHFFFAOYSA-N- Molecular formula
- C16H25NO2S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.16060021
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-(2-aminoethyl)phenylthio)-2-methylpropanoate
- IUPAC
- tert-butyl 2-[4-(2-aminoethyl)phenyl]sulfanyl-2-methylpropanoate
Names & synonyms
247923-33-7tert-butyl 2-(4-(2-aminoethyl)phenylthio)-2-methylpropanoatet-Butyl-2-[[4-(2-aminoethyl)phenyl]sulphanyl]-2-methylpropionatetert-butyl 2-[4-(2-aminoethyl)phenyl]sulfanyl-2-methylpropanoateSCHEMBL3884314RBWSVDKKZKPEHT-UHFFFAOYSA-NDA-077131,1-dimethylethyl 2-[[4-(2-aminoethyl)phenyl]thio]-2-methyl-propanoate
Database identifiers
- PubChem CID
- 11623510
- Nikkaji
- J2.935.529K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
3 records
Compound notes
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