O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine

C11H16N2O — CID 117283250

IUPACO-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine
SMILESCN1CC(c2ccccc2CON)C1
InChIInChI=1S/C11H16N2O/c1-13-6-10(7-13)11-5-3-2-4-9(11)8-14-12/h2-5,10H,6-8,12H2,1H3
InChIKeyFEIHFMAFRQKPRH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.11
Rot. Bonds3

About O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine

O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine (PubChem CID 117283250) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine
PubChem CID117283250
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameO-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine
SMILESCN1CC(c2ccccc2CON)C1
InChIInChI=1S/C11H16N2O/c1-13-6-10(7-13)11-5-3-2-4-9(11)8-14-12/h2-5,10H,6-8,12H2,1H3
InChIKeyFEIHFMAFRQKPRH-UHFFFAOYSA-N
XLogP1.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine (CID 117283250) is O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine is CN1CC(c2ccccc2CON)C1.
What is the InChIKey of O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine?
The InChIKey is FEIHFMAFRQKPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-6-10(7-13)11-5-3-2-4-9(11)8-14-12/h2-5,10H,6-8,12H2,1H3.
What are the key properties of O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine?
O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-(1-methylazetidin-3-yl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117283250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).