2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol

C23H33NO — CID 71376111

IUPAC2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
SMILESCCc1ccc(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H33NO/c1-8-16-9-11-18(12-10-16)24-15-17-13-19(22(2,3)4)21(25)20(14-17)23(5,6)7/h9-14,24-25H,8,15H2,1-7H3
InChIKeyYKUHRNNEPKFTAS-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.16
Rot. Bonds4

About 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol

2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol (PubChem CID 71376111) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
PubChem CID71376111
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol
SMILESCCc1ccc(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C23H33NO/c1-8-16-9-11-18(12-10-16)24-15-17-13-19(22(2,3)4)21(25)20(14-17)23(5,6)7/h9-14,24-25H,8,15H2,1-7H3
InChIKeyYKUHRNNEPKFTAS-UHFFFAOYSA-N
XLogP6.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
2,6-ditert-butyl-4-[(4-fluorophenyl)methylamino]phenol;hydrochloride
CID 139761952
4-[(4-aminoanilino)methyl]-2-tert-butyl-6-prop-1-en-2-ylphenol
CID 88575602
2,6-ditert-butyl-4-[(2,2-difluoroethylamino)methyl]phenol
CID 115406049
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]-N-(4-ethylphenyl)acetamide
CID 5017036
bis(2-tert-butyl-4-ethylphenol);methane
CID 174954816
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
2-tert-butyl-4-ethyl-6-sulfanylphenol
CID 15789894
1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-phenylthiourea
CID 15620960
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
N,4-diethylaniline
CID 6429431
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol (CID 71376111) is 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol is CCc1ccc(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.
What is the InChIKey of 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol?
The InChIKey is YKUHRNNEPKFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-8-16-9-11-18(12-10-16)24-15-17-13-19(22(2,3)4)21(25)20(14-17)23(5,6)7/h9-14,24-25H,8,15H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol?
2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol has a molecular weight of 339.52 g/mol, XLogP of 6.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(4-ethylanilino)methyl]phenol is sourced from PubChem (CID 71376111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).