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

C20H33NO — CID 86118767

IUPAC2,4-ditert-butyl-6-(cyclohexylamino)phenol
SMILESCC(C)(C)c1cc(NC2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15/h12-13,15,21-22H,7-11H2,1-6H3
InChIKeyNHYQWUKNWFIYAV-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.73
Rot. Bonds2

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

2,4-ditert-butyl-6-(cyclohexylamino)phenol (PubChem CID 86118767) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(cyclohexylamino)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(cyclohexylamino)phenol
PubChem CID86118767
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2,4-ditert-butyl-6-(cyclohexylamino)phenol
SMILESCC(C)(C)c1cc(NC2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H33NO/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15/h12-13,15,21-22H,7-11H2,1-6H3
InChIKeyNHYQWUKNWFIYAV-UHFFFAOYSA-N
XLogP5.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.73
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-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
2,4-ditert-butyl-6-dicyclohexylphosphanylphenol
CID 18541827
3,5-ditert-butyl-2-[2-(cyclohexylamino)ethyl]phenol
CID 10382052
2-(1-adamantylamino)-4,6-ditert-butylphenol
CID 102496107
N-[5-tert-butyl-2-methyl-3-(2,4,6-trifluorophenyl)phenyl]cyclooctanamine
CID 144527204
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
CID 10952469
2,4-ditert-butyl-6-(cyclohexylsulfanylmethyl)phenol
CID 102028542
2,4-ditert-butyl-6-[[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;trichlorocobalt
CID 175919926
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
cyclohexyl 3-(3,5-ditert-butyl-2-hydroxyphenyl)propanoate
CID 174669906
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(cyclohexylamino)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(cyclohexylamino)phenol (CID 86118767) is 2,4-ditert-butyl-6-(cyclohexylamino)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(cyclohexylamino)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(cyclohexylamino)phenol is CC(C)(C)c1cc(NC2CCCCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(cyclohexylamino)phenol?
The InChIKey is NHYQWUKNWFIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-19(2,3)14-12-16(20(4,5)6)18(22)17(13-14)21-15-10-8-7-9-11-15/h12-13,15,21-22H,7-11H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(cyclohexylamino)phenol?
2,4-ditert-butyl-6-(cyclohexylamino)phenol has a molecular weight of 303.49 g/mol, XLogP of 5.73, 2 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-(cyclohexylamino)phenol is sourced from PubChem (CID 86118767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).