O-(2-methoxy-1-phenylethyl)hydroxylamine

C9H13NO2 — CID 14103730

IUPACO-(2-methoxy-1-phenylethyl)hydroxylamine
SMILESCOCC(ON)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-7-9(12-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyIHPJCUUPUIUDMI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.26
Rot. Bonds4

About O-(2-methoxy-1-phenylethyl)hydroxylamine

O-(2-methoxy-1-phenylethyl)hydroxylamine (PubChem CID 14103730) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is O-(2-methoxy-1-phenylethyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-methoxy-1-phenylethyl)hydroxylamine
PubChem CID14103730
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameO-(2-methoxy-1-phenylethyl)hydroxylamine
SMILESCOCC(ON)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-11-7-9(12-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3
InChIKeyIHPJCUUPUIUDMI-UHFFFAOYSA-N
XLogP1.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.26
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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Related Compounds

benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
1-methoxy-2-[(1R)-2-methoxy-1-phenylethoxy]benzene
CID 139888612
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
3-methoxy-2-phenylpropan-1-amine
CID 66968828
1,2-dimethoxyethylbenzene;(1,2-dimethoxy-2-phenylethyl)benzene;1,2-dimethoxypropane
CID 159991566
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
benzene;2-methoxy-1-phenylethanol
CID 174622919
[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
CID 22140522
[2-[(2-methoxy-1-phenylethoxy)methyl]phenyl]-diphenylphosphane
CID 23413693
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836

Frequently Asked Questions

What is the IUPAC name of O-(2-methoxy-1-phenylethyl)hydroxylamine?
The IUPAC name of O-(2-methoxy-1-phenylethyl)hydroxylamine (CID 14103730) is O-(2-methoxy-1-phenylethyl)hydroxylamine.
What is the SMILES notation for O-(2-methoxy-1-phenylethyl)hydroxylamine?
The canonical SMILES for O-(2-methoxy-1-phenylethyl)hydroxylamine is COCC(ON)c1ccccc1.
What is the InChIKey of O-(2-methoxy-1-phenylethyl)hydroxylamine?
The InChIKey is IHPJCUUPUIUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-11-7-9(12-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3.
What are the key properties of O-(2-methoxy-1-phenylethyl)hydroxylamine?
O-(2-methoxy-1-phenylethyl)hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methoxy-1-phenylethyl)hydroxylamine is sourced from PubChem (CID 14103730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).