O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine

C12H19NO4 — CID 117355228

IUPACO-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1ccc(CCON)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-14-8-10-5-4-9(6-7-17-13)11(15-2)12(10)16-3/h4-5H,6-8,13H2,1-3H3
InChIKeyBQUFQUWVBYQBBX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.28
Rot. Bonds7

About O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine

O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117355228) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
PubChem CID117355228
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC NameO-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
SMILESCOCc1ccc(CCON)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-14-8-10-5-4-9(6-7-17-13)11(15-2)12(10)16-3/h4-5H,6-8,13H2,1-3H3
InChIKeyBQUFQUWVBYQBBX-UHFFFAOYSA-N
XLogP1.28
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117326901
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
O-[2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117330362
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
O-[2-(2-methoxy-3-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304504
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855

Frequently Asked Questions

What is the IUPAC name of O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine (CID 117355228) is O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine is COCc1ccc(CCON)c(OC)c1OC.
What is the InChIKey of O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is BQUFQUWVBYQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-14-8-10-5-4-9(6-7-17-13)11(15-2)12(10)16-3/h4-5H,6-8,13H2,1-3H3.
What are the key properties of O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine?
O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 241.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117355228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).