2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol

C20H26N2O — CID 139089195

IUPAC2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccn2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)15-11-14(13-22-17-9-7-8-10-21-17)18(23)16(12-15)20(4,5)6/h7-13,23H,1-6H3/b22-13+
InChIKeyQPMFUFSMOKXBKQ-LPYMAVHISA-N
MW310.44 g/mol
LogP5.13
Rot. Bonds2

About 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol

2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol (PubChem CID 139089195) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol
PubChem CID139089195
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccn2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26N2O/c1-19(2,3)15-11-14(13-22-17-9-7-8-10-21-17)18(23)16(12-15)20(4,5)6/h7-13,23H,1-6H3/b22-13+
InChIKeyQPMFUFSMOKXBKQ-LPYMAVHISA-N
XLogP5.13
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4,4'-(2-Aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
CID 131953527
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
1-[(Pyridin-2-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 263867
2,6-Di-tert-butyl-4-(2-(3-pyridinyl)ethenyl)phenol
CID 6439912
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-ethyl-6-propylphenol
CID 13112736
4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-phenol
CID 13112738
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-di(propan-2-yl)phenol
CID 13112740

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol (CID 139089195) is 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol is CC(C)(C)c1cc(/C=N/c2ccccn2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol?
The InChIKey is QPMFUFSMOKXBKQ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H26N2O/c1-19(2,3)15-11-14(13-22-17-9-7-8-10-21-17)18(23)16(12-15)20(4,5)6/h7-13,23H,1-6H3/b22-13+.
What are the key properties of 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol?
2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol has a molecular weight of 310.44 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(E)-pyridin-2-yliminomethyl]phenol is sourced from PubChem (CID 139089195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).