2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol

C11H17NO2 — CID 117111172

IUPAC2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(CON)cc1
InChIInChI=1S/C11H17NO2/c1-11(2,8-13)10-5-3-9(4-6-10)7-14-12/h3-6,13H,7-8,12H2,1-2H3
InChIKeyDIDJNONSOKOMAS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol

2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117111172) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117111172
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(CON)cc1
InChIInChI=1S/C11H17NO2/c1-11(2,8-13)10-5-3-9(4-6-10)7-14-12/h3-6,13H,7-8,12H2,1-2H3
InChIKeyDIDJNONSOKOMAS-UHFFFAOYSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.35
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-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117111875
2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
CID 117111989
1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114960
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449
4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol
CID 117111157
tert-butyl 2-[4-(aminooxymethyl)phenyl]-2,2-difluoroacetate
CID 59479138
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
O-[[4-(1-fluoroethyl)phenyl]methyl]hydroxylamine
CID 117276742
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
tert-butyl N-[[4-(aminooxymethyl)benzoyl]amino]carbamate
CID 139291338
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol (CID 117111172) is 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(CON)cc1.
What is the InChIKey of 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is DIDJNONSOKOMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,8-13)10-5-3-9(4-6-10)7-14-12/h3-6,13H,7-8,12H2,1-2H3.
What are the key properties of 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol?
2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 195.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminooxymethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117111172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).