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

C15H25NO — CID 57470249

IUPAC2,4-ditert-butyl-6-(methylamino)phenol
SMILESCNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17)12(9-10)16-7/h8-9,16-17H,1-7H3
InChIKeyGVBLTIOBNROHDH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.03
Rot. Bonds1

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

2,4-ditert-butyl-6-(methylamino)phenol (PubChem CID 57470249) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(methylamino)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(methylamino)phenol
PubChem CID57470249
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,4-ditert-butyl-6-(methylamino)phenol
SMILESCNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17)12(9-10)16-7/h8-9,16-17H,1-7H3
InChIKeyGVBLTIOBNROHDH-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.03
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-(cyclohexylamino)phenol
CID 86118767
4-bromo-N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide
CID 56698589
CID 135046337
CID 135046337
2-(1-adamantylamino)-4,6-ditert-butylphenol
CID 102496107
2,4-ditert-butyl-6-[2-[2-(3,5-ditert-butyl-2-hydroxyanilino)phenyl]sulfanylanilino]phenol
CID 102359329
2,4-ditert-butyl-6-(2-ethylanilino)phenol
CID 86036245
N-(3,5-ditert-butyl-2-hydroxyphenyl)hexanamide
CID 126701347
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
CID 158661910
CID 158661910
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 102348051

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(methylamino)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(methylamino)phenol (CID 57470249) is 2,4-ditert-butyl-6-(methylamino)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(methylamino)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(methylamino)phenol is CNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-(methylamino)phenol?
The InChIKey is GVBLTIOBNROHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17)12(9-10)16-7/h8-9,16-17H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-(methylamino)phenol?
2,4-ditert-butyl-6-(methylamino)phenol has a molecular weight of 235.37 g/mol, XLogP of 4.03, 1 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-(methylamino)phenol is sourced from PubChem (CID 57470249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).