4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol

C12H19NO2 — CID 117111157

IUPAC4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CON)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,14)8-7-10-3-5-11(6-4-10)9-15-13/h3-6,14H,7-9,13H2,1-2H3
InChIKeyTXEOVXNTMLSXQF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds5

About 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol

4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol (PubChem CID 117111157) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol
PubChem CID117111157
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CON)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,14)8-7-10-3-5-11(6-4-10)9-15-13/h3-6,14H,7-9,13H2,1-2H3
InChIKeyTXEOVXNTMLSXQF-UHFFFAOYSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
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

ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
CID 117111172
4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
CID 96659553
2-amino-2-[4-(3-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 117115063
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398
2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
CID 71092180
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
4-[4-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]phenyl]-2-methylbutan-2-ol
CID 95893669
6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
CID 105457920

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol (CID 117111157) is 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol is CC(C)(O)CCc1ccc(CON)cc1.
What is the InChIKey of 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol?
The InChIKey is TXEOVXNTMLSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,14)8-7-10-3-5-11(6-4-10)9-15-13/h3-6,14H,7-9,13H2,1-2H3.
What are the key properties of 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol?
4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 117111157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).