4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one

C14H21NO2 — CID 163410720

IUPAC4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1c(C)cc(C)cc1ON
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-15)14(4,5)8-11(3)16/h6-7H,8,15H2,1-5H3
InChIKeyAAGFGZGRBWVIPT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.81
Rot. Bonds4

About 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one

4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one (PubChem CID 163410720) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
PubChem CID163410720
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)c1c(C)cc(C)cc1ON
InChIInChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-15)14(4,5)8-11(3)16/h6-7H,8,15H2,1-5H3
InChIKeyAAGFGZGRBWVIPT-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 171526449
4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
CID 153346340
2-[[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenoxy]carbonylamino]propanoic acid
CID 142512620
[2-(1-carboxy-2-methylpropan-2-yl)-3,5-dimethylphenoxy]carbonylmercury
CID 153400800
3-(2,4-dimethyl-6-phosphorosooxyphenyl)-3-methylbutanoic acid
CID 23575529
sodium 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanethioate
CID 140866927
3-[2-(3-aminopropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanoic acid
CID 10501488
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
CID 122674449
2-methylpropyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate
CID 176979371
4-(3,5-dimethylphenyl)-4-methylpentan-2-one
CID 64715296
[2-(2,5-dimethyl-4-oxohexan-2-yl)-3,5-dimethylphenyl] dihydrogen phosphate
CID 140959277
sodium 3-[2-(2,2-dimethylpropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanethioate
CID 159986070

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one (CID 163410720) is 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one is CC(=O)CC(C)(C)c1c(C)cc(C)cc1ON.
What is the InChIKey of 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one?
The InChIKey is AAGFGZGRBWVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-10(2)13(12(7-9)17-15)14(4,5)8-11(3)16/h6-7H,8,15H2,1-5H3.
What are the key properties of 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one?
4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 163410720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).