2,6-Ditert-butyl-4-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]phenol

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Basic information

CAS: 75393-96-3
Standard SMILES: COc1ccc(C(Nc2ccccn2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIKey: ZGYUEKDQJPSILA-UHFFFAOYSA-N
Molecular formula: C27H34N2O2
Average molar mass: 418.6 g/mol
Monoisotopic mass: 418.26202833

Names & identifiers

Preferred name: 2,6-Ditert-butyl-4-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]phenol
IUPAC: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]phenol

Names & synonyms

75393-96-3NSC3476632,6-ditert-butyl-4-[(4-methoxyphenyl)-(pyridin-2-ylamino)methyl]phenolDTXSID80319581NSC-347663DS-0013022,6-Di-tert-butyl-4-{(4-methoxyphenyl)[(pyridin-2-yl)amino]methyl}phenol4-[(4-Methoxyphenyl)-(pyridin-2-ylamino)methyl]-2,6-ditert-butyl-phenol

Database identifiers

CAS: 75393-96-3
PubChem CID: 335864
DTXSID: DTXSID80319581

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 31
Formal charge: 0
Complexity: 520

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Compound notes

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