O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine

C12H17NO3 — CID 53421244

IUPACO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
SMILESNOCCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO3/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyCVLUOQVVWFPWDY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.77
Rot. Bonds4

About O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine

O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine (PubChem CID 53421244) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
PubChem CID53421244
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameO-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine
SMILESNOCCC1CCOC(c2ccccc2)O1
InChIInChI=1S/C12H17NO3/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyCVLUOQVVWFPWDY-UHFFFAOYSA-N
XLogP1.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine (CID 53421244) is O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine is NOCCC1CCOC(c2ccccc2)O1.
What is the InChIKey of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine?
The InChIKey is CVLUOQVVWFPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c13-15-9-7-11-6-8-14-12(16-11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine?
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 53421244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).