5-Tert-butyl-3-[(diethylamino)methyl]biphenyl-2-ol
Basic information
- CAS
5414-53-9- Standard SMILES
CCN(CC)Cc1cc(C(C)(C)C)cc(-c2ccccc2)c1O- InChIKey
XAPKJTOWVOTWGP-UHFFFAOYSA-N- Molecular formula
- C21H29NO
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.22491455
Names & identifiers
- Preferred name
- 5-Tert-butyl-3-[(diethylamino)methyl]biphenyl-2-ol
- IUPAC
- 4-tert-butyl-2-(diethylaminomethyl)-6-phenylphenol
Names & synonyms
NSC105825414-53-95-tert-butyl-3-[(diethylamino)methyl]biphenyl-2-olSCHEMBL2485184DTXSID60969043NSC-105824-tert-butyl-2-(diethylaminomethyl)-6-phenyl-phenol5-tert-Butyl-3-[(diethylamino)methyl][1,1'-biphenyl]-2-ol
Database identifiers
- CAS
5414-53-9- PubChem CID
- 223192
- DTXSID
DTXSID60969043
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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