2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol

C23H32N2O — CID 136798640

IUPAC2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/CCNc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H32N2O/c1-22(2,3)18-14-17(21(26)20(15-18)23(4,5)6)16-24-12-13-25-19-10-8-7-9-11-19/h7-11,14-16,25-26H,12-13H2,1-6H3/b24-16+
InChIKeyJEDLAQQZKTVROZ-LFVJCYFKSA-N
MW352.52 g/mol
LogP5.52
Rot. Bonds5

About 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol

2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol (PubChem CID 136798640) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol
PubChem CID136798640
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/CCNc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H32N2O/c1-22(2,3)18-14-17(21(26)20(15-18)23(4,5)6)16-24-12-13-25-19-10-8-7-9-11-19/h7-11,14-16,25-26H,12-13H2,1-6H3/b24-16+
InChIKeyJEDLAQQZKTVROZ-LFVJCYFKSA-N
XLogP5.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol?
The IUPAC name of 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol (CID 136798640) is 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol.
What is the SMILES notation for 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol?
The canonical SMILES for 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol is CC(C)(C)c1cc(/C=N/CCNc2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol?
The InChIKey is JEDLAQQZKTVROZ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H32N2O/c1-22(2,3)18-14-17(21(26)20(15-18)23(4,5)6)16-24-12-13-25-19-10-8-7-9-11-19/h7-11,14-16,25-26H,12-13H2,1-6H3/b24-16+.
What are the key properties of 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol?
2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol has a molecular weight of 352.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilinoethyliminomethyl)-4,6-ditert-butylphenol is sourced from PubChem (CID 136798640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).