N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine

C11H15NO2 — CID 56607063

IUPACN-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
SMILESCOc1c(C)cc(C(C)=NO)cc1C
InChIInChI=1S/C11H15NO2/c1-7-5-10(9(3)12-13)6-8(2)11(7)14-4/h5-6,13H,1-4H3
InChIKeyZUQATXUULLFQLL-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.51
Rot. Bonds2

About N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine

N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine (PubChem CID 56607063) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
PubChem CID56607063
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
SMILESCOc1c(C)cc(C(C)=NO)cc1C
InChIInChI=1S/C11H15NO2/c1-7-5-10(9(3)12-13)6-8(2)11(7)14-4/h5-6,13H,1-4H3
InChIKeyZUQATXUULLFQLL-UHFFFAOYSA-N
XLogP2.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
4-methoxy-3,5-dimethylbenzenecarbothioic S-acid
CID 116918890
(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
CID 110447871
4-methoxy-3,5-dimethylphenol
CID 643378
(NZ)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 87388843
(NE)-N-[(4-methoxy-3,5-dimethylphenyl)methylidene]hydroxylamine
CID 58938988
2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetamide
CID 116924503
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
[1-(4-methoxy-3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146006439

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine (CID 56607063) is N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine is COc1c(C)cc(C(C)=NO)cc1C.
What is the InChIKey of N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine?
The InChIKey is ZUQATXUULLFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-10(9(3)12-13)6-8(2)11(7)14-4/h5-6,13H,1-4H3.
What are the key properties of N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine?
N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 56607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).