2,4-ditert-butyl-6-(2-ethylanilino)phenol

C22H31NO — CID 86036245

IUPAC2,4-ditert-butyl-6-(2-ethylanilino)phenol
SMILESCCc1ccccc1Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H31NO/c1-8-15-11-9-10-12-18(15)23-19-14-16(21(2,3)4)13-17(20(19)24)22(5,6)7/h9-14,23-24H,8H2,1-7H3
InChIKeyUJLZGUFPQXQWCN-UHFFFAOYSA-N
MW325.50 g/mol
LogP6.29
Rot. Bonds3

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

2,4-ditert-butyl-6-(2-ethylanilino)phenol (PubChem CID 86036245) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(2-ethylanilino)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(2-ethylanilino)phenol
PubChem CID86036245
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2,4-ditert-butyl-6-(2-ethylanilino)phenol
SMILESCCc1ccccc1Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H31NO/c1-8-15-11-9-10-12-18(15)23-19-14-16(21(2,3)4)13-17(20(19)24)22(5,6)7/h9-14,23-24H,8H2,1-7H3
InChIKeyUJLZGUFPQXQWCN-UHFFFAOYSA-N
XLogP6.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-[2-[2-(3,5-ditert-butyl-2-hydroxyanilino)phenyl]sulfanylanilino]phenol
CID 102359329
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
2,4-ditert-butyl-6-[2-[1-[2-(3,5-ditert-butyl-2-hydroxyanilino)phenyl]triazol-4-yl]anilino]phenol
CID 137252194
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347
tris(2,4-ditert-butyl-6-[(2-propylsulfanylanilino)methyl]phenol);trihydrochloride
CID 175288400
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-[(benzylamino)methyl]-4,6-ditert-butylphenol
CID 135018997
2,4-ditert-butyl-6-[(2-propylsulfanylanilino)methyl]phenol;titanium(3+);trichloride
CID 174966466
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
CID 87990128
2,4-ditert-butyl-6-[(2-hydroxy-5-methylanilino)methyl]phenol
CID 101388446

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(2-ethylanilino)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(2-ethylanilino)phenol (CID 86036245) is 2,4-ditert-butyl-6-(2-ethylanilino)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(2-ethylanilino)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(2-ethylanilino)phenol is CCc1ccccc1Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-(2-ethylanilino)phenol?
The InChIKey is UJLZGUFPQXQWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-8-15-11-9-10-12-18(15)23-19-14-16(21(2,3)4)13-17(20(19)24)22(5,6)7/h9-14,23-24H,8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-(2-ethylanilino)phenol?
2,4-ditert-butyl-6-(2-ethylanilino)phenol has a molecular weight of 325.50 g/mol, XLogP of 6.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(2-ethylanilino)phenol is sourced from PubChem (CID 86036245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).