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

C11H17NO4 — CID 117326901

IUPACO-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1ccc(CON)c(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-13-6-8-4-5-9(7-16-12)11(15-3)10(8)14-2/h4-5H,6-7,12H2,1-3H3
InChIKeyPRMCDLFHRAEJEI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.24
Rot. Bonds6

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

O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine (PubChem CID 117326901) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
PubChem CID117326901
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameO-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1ccc(CON)c(OC)c1OC
InChIInChI=1S/C11H17NO4/c1-13-6-8-4-5-9(7-16-12)11(15-3)10(8)14-2/h4-5H,6-7,12H2,1-3H3
InChIKeyPRMCDLFHRAEJEI-UHFFFAOYSA-N
XLogP1.24
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.24
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-[2,3-dimethoxy-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355228
3-(aminooxymethyl)-6-chloro-2-methoxyphenol
CID 117292180
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
1-(isocyanatomethyl)-2,3-dimethoxy-4-(methoxymethyl)benzene
CID 117346512
2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117327201
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
O-[2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117355227
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804

Frequently Asked Questions

What is the IUPAC name of O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine (CID 117326901) is O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine is COCc1ccc(CON)c(OC)c1OC.
What is the InChIKey of O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
The InChIKey is PRMCDLFHRAEJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-13-6-8-4-5-9(7-16-12)11(15-3)10(8)14-2/h4-5H,6-7,12H2,1-3H3.
What are the key properties of O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine?
O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2,3-dimethoxy-4-(methoxymethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117326901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).