O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine

C11H17NO2 — CID 83698804

IUPACO-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)c(C)c1C
InChIInChI=1S/C11H17NO2/c1-7-5-10(6-14-12)8(2)9(3)11(7)13-4/h5H,6,12H2,1-4H3
InChIKeyZVJOTSLRRWNKHH-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.01
Rot. Bonds3

About O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine

O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine (PubChem CID 83698804) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
PubChem CID83698804
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameO-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
SMILESCOc1c(C)cc(CON)c(C)c1C
InChIInChI=1S/C11H17NO2/c1-7-5-10(6-14-12)8(2)9(3)11(7)13-4/h5H,6,12H2,1-4H3
InChIKeyZVJOTSLRRWNKHH-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.01
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

O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
5-(aminooxymethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117289874
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878

Frequently Asked Questions

What is the IUPAC name of O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine (CID 83698804) is O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine is COc1c(C)cc(CON)c(C)c1C.
What is the InChIKey of O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine?
The InChIKey is ZVJOTSLRRWNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-5-10(6-14-12)8(2)9(3)11(7)13-4/h5H,6,12H2,1-4H3.
What are the key properties of O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine?
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 83698804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).