4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile

C11H14N2O2 — CID 69433207

IUPAC4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(C#N)ccc1CON
InChIInChI=1S/C11H14N2O2/c1-8(2)15-11-5-9(6-12)3-4-10(11)7-14-13/h3-5,8H,7,13H2,1-2H3
InChIKeyUXIAMCAEUXNZQY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.74
Rot. Bonds4

About 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile

4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile (PubChem CID 69433207) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile
PubChem CID69433207
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(C#N)ccc1CON
InChIInChI=1S/C11H14N2O2/c1-8(2)15-11-5-9(6-12)3-4-10(11)7-14-13/h3-5,8H,7,13H2,1-2H3
InChIKeyUXIAMCAEUXNZQY-UHFFFAOYSA-N
XLogP1.74
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
4-(aminooxymethyl)-3-iodobenzonitrile
CID 58989999
3-amino-4-propan-2-yloxybenzonitrile
CID 43518279
4-(aminooxymethyl)-3-bromobenzonitrile
CID 130051911
4-(aminomethyl)-3-methoxybenzonitrile
CID 18424090
3-fluoro-4-(propan-2-yloxymethyl)benzonitrile
CID 24696475
4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
CID 107658257
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
CID 22476066
4-[(2,6-difluorophenyl)methylamino]-3-propan-2-yloxybenzonitrile
CID 154848463
4-(4-amino-N-methyl-3-propan-2-yloxyanilino)benzonitrile
CID 83005105

Frequently Asked Questions

What is the IUPAC name of 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile?
The IUPAC name of 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile (CID 69433207) is 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile is CC(C)Oc1cc(C#N)ccc1CON.
What is the InChIKey of 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile?
The InChIKey is UXIAMCAEUXNZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(2)15-11-5-9(6-12)3-4-10(11)7-14-13/h3-5,8H,7,13H2,1-2H3.
What are the key properties of 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile?
4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminooxymethyl)-3-propan-2-yloxybenzonitrile is sourced from PubChem (CID 69433207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).