2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol

C24H36N2O — CID 71485102

IUPAC2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol
SMILESCNN(C)C(c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H36N2O/c1-16-10-12-17(13-11-16)21(26(9)25-8)18-14-19(23(2,3)4)22(27)20(15-18)24(5,6)7/h10-15,21,25,27H,1-9H3
InChIKeyHZBPEJUKYSSFNT-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.45
Rot. Bonds4

About 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol

2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol (PubChem CID 71485102) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol
PubChem CID71485102
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol
SMILESCNN(C)C(c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H36N2O/c1-16-10-12-17(13-11-16)21(26(9)25-8)18-14-19(23(2,3)4)22(27)20(15-18)24(5,6)7/h10-15,21,25,27H,1-9H3
InChIKeyHZBPEJUKYSSFNT-UHFFFAOYSA-N
XLogP5.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-[1-[4-(4-methylanilino)phenyl]ethyl]phenol
CID 20764849
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(2-hydroxyphenyl)-2-(4-methylphenyl)ethanone
CID 132527733
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-[methylamino(phenyl)methyl]phenol
CID 139761917
2,6-ditert-butyl-4-[(4-methylphenyl)sulfanylmethyl]phenol
CID 164682070
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol (CID 71485102) is 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol is CNN(C)C(c1ccc(C)cc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol?
The InChIKey is HZBPEJUKYSSFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-16-10-12-17(13-11-16)21(26(9)25-8)18-14-19(23(2,3)4)22(27)20(15-18)24(5,6)7/h10-15,21,25,27H,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol?
2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol has a molecular weight of 368.57 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[methyl(methylamino)amino]-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 71485102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).