2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol

C21H28N2O — CID 135705170

IUPAC2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)13-23-18-10-8-7-9-17(18)22/h7-13,24H,22H2,1-6H3/b23-13+
InChIKeyWOIXERHXLOOLRS-YDZHTSKRSA-N
MW324.47 g/mol
LogP5.32
Rot. Bonds2

About 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol

2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol (PubChem CID 135705170) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol
PubChem CID135705170
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2N)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H28N2O/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)13-23-18-10-8-7-9-17(18)22/h7-13,24H,22H2,1-6H3/b23-13+
InChIKeyWOIXERHXLOOLRS-YDZHTSKRSA-N
XLogP5.32
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-aminophenyl)iminomethyl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol (CID 135705170) is 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol is CC(C)(C)c1cc(/C=N/c2ccccc2N)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol?
The InChIKey is WOIXERHXLOOLRS-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H28N2O/c1-20(2,3)15-11-14(19(24)16(12-15)21(4,5)6)13-23-18-10-8-7-9-17(18)22/h7-13,24H,22H2,1-6H3/b23-13+.
What are the key properties of 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol?
2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol has a molecular weight of 324.47 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)iminomethyl]-4,6-ditert-butylphenol is sourced from PubChem (CID 135705170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).