N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine

C11H17NO2 — CID 82606327

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1c(C)cc(CN(C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-8-5-10(7-12(3)13)6-9(2)11(8)14-4/h5-6,13H,7H2,1-4H3
InChIKeyDQEDERNYCFCRHA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.13
Rot. Bonds3

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 82606327) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
PubChem CID82606327
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1c(C)cc(CN(C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-8-5-10(7-12(3)13)6-9(2)11(8)14-4/h5-6,13H,7H2,1-4H3
InChIKeyDQEDERNYCFCRHA-UHFFFAOYSA-N
XLogP2.13
TPSA32.70 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine (CID 82606327) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine is COc1c(C)cc(CN(C)O)cc1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is DQEDERNYCFCRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-5-10(7-12(3)13)6-9(2)11(8)14-4/h5-6,13H,7H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 82606327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).