N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine

C11H17NO4 — CID 84791445

IUPACN-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1ccc(OC)c(OC)c1CNO
InChIInChI=1S/C11H17NO4/c1-14-7-8-4-5-10(15-2)11(16-3)9(8)6-12-13/h4-5,12-13H,6-7H2,1-3H3
InChIKeyMQMMWTHLNMPIKS-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.33
Rot. Bonds6

About N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine

N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine (PubChem CID 84791445) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
PubChem CID84791445
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC NameN-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine
SMILESCOCc1ccc(OC)c(OC)c1CNO
InChIInChI=1S/C11H17NO4/c1-14-7-8-4-5-10(15-2)11(16-3)9(8)6-12-13/h4-5,12-13H,6-7H2,1-3H3
InChIKeyMQMMWTHLNMPIKS-UHFFFAOYSA-N
XLogP1.33
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-2,4-dimethoxyphenyl)methyl]hydroxylamine
CID 84776126
1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propan-2-one
CID 117349006
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
2-amino-3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]propanoic acid
CID 117426358
1-(isocyanatomethyl)-3,4-dimethoxy-2-(methoxymethyl)benzene
CID 117346502
N-[(6-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]hydroxylamine
CID 117366725
1,2-bis(bromomethyl)-3,4-dimethoxybenzene
CID 154091401
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine (CID 84791445) is N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine is COCc1ccc(OC)c(OC)c1CNO.
What is the InChIKey of N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine?
The InChIKey is MQMMWTHLNMPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-7-8-4-5-10(15-2)11(16-3)9(8)6-12-13/h4-5,12-13H,6-7H2,1-3H3.
What are the key properties of N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine?
N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine has a molecular weight of 227.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dimethoxy-6-(methoxymethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 84791445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).