2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenol

C₁₁H₁₆N₂O₃CAS 83488-02-2224.26 g/mol

Open in Covalent MOL file

Nitro Phenol Primary amine

Properties

Molecular formula: C₁₁H₁₆N₂O₃
Molar mass: 224.26 g/mol
Exact mass: 224.1161 Da
logP: 2.57Crippen estimate
Polar surface area: 89.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

83488-02-2

SMILES

CCC(C)(C)c1cc(N)c(O)c([N+](=O)[O-])c1

InChIKey

WLJLENRIPLYJSZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O3/c1-4-11(2,3)7-5-8(12)10(14)9(6-7)13(15)16/h5-6,14H,4,12H2,1-3H3

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Names and synonyms

3 names

Phenol, 2-amino-4-(1,1-dimethylpropyl)-6-nitro-
Phenol, 2-amino-6-nitro-4-tert-pentyl-
2-Amino-4-(2-methylbutan-2-yl)-6-nitrophenol

Work with 2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenol

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-Amino-4-methyl-6-nitrophenol6265-07-256 % similar Picramic acid96-91-355 % similar 4-tert-Butyl-2,6-dinitrophenol4097-49-852 % similar 2-Amino-4-chloro-6-nitrophenol6358-08-352 % similar 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-548 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-646 % similar 2,6-Dinitro-4-(trifluoromethyl)phenol393-77-146 % similar 2,6-Dinitro-P-cresol609-93-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Diethoxybenzohydrazide380482-31-5

Elsewhere

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