4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol

C21H28N2O — CID 136617524

IUPAC4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=C(\N)c2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2O/c1-20(2,3)16-11-14(12-17(19(16)24)21(4,5)6)13-18(22)15-7-9-23-10-8-15/h7-13,24H,22H2,1-6H3/b18-13-
InChIKeyULTFKFRONPGNAC-AQTBWJFISA-N
MW324.47 g/mol
LogP4.84
Rot. Bonds2

About 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol

4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol (PubChem CID 136617524) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol
PubChem CID136617524
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=C(\N)c2ccncc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H28N2O/c1-20(2,3)16-11-14(12-17(19(16)24)21(4,5)6)13-18(22)15-7-9-23-10-8-15/h7-13,24H,22H2,1-6H3/b18-13-
InChIKeyULTFKFRONPGNAC-AQTBWJFISA-N
XLogP4.84
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol (CID 136617524) is 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol is CC(C)(C)c1cc(/C=C(\N)c2ccncc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol?
The InChIKey is ULTFKFRONPGNAC-AQTBWJFISA-N. The full InChI is InChI=1S/C21H28N2O/c1-20(2,3)16-11-14(12-17(19(16)24)21(4,5)6)13-18(22)15-7-9-23-10-8-15/h7-13,24H,22H2,1-6H3/b18-13-.
What are the key properties of 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol?
4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol has a molecular weight of 324.47 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-amino-2-pyridin-4-ylethenyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 136617524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).