5-Amino-2,4-bis(1,1-dimethylethyl)phenol

C14H23NOCAS 873055-58-4221.34 g/mol

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OHH2N
PhenolPrimary amine

Properties

Molecular formula
C14H23NO
Molar mass
221.34 g/mol
Exact mass
221.1780 Da
logP
3.57Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
873055-58-4
SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)cc1N
InChIKey
BKSDHPHOWDUJNB-UHFFFAOYSA-N
InChI
InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,16H,15H2,1-6H3

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Names and synonyms

2 names
  • Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-
  • 5-Amino-2,4-di-tert-butylphenol

Work with 5-Amino-2,4-bis(1,1-dimethylethyl)phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Di-tert-butylhydroquinone88-58-464 % similar 2-Amino-4-tert-butylphenol1199-46-848 % similar tert-Butylhydroquinone1948-33-047 % similar 2,4-Di-tert-butylphenol96-76-447 % similar Butylated hydroxyanisole121-00-646 % similar Butylated hydroxyanisole25013-16-546 % similar 4,4′-Thiobis[3-methyl-6-tert-butylphenol]96-69-546 % similar 4-Bromo-2-tert-butylphenol10323-39-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Acetamido-3,5-dimethyladamantane19982-07-1 4-(Octyloxy)benzenamine39905-45-8 N,N-Dibutyl-3-aminophenol43141-69-1

Elsewhere

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