4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol

C11H18N2O3 — CID 83002999

IUPAC4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNN(C)C)cc(OC)c1O
InChIInChI=1S/C11H18N2O3/c1-13(2)12-7-8-5-9(15-3)11(14)10(6-8)16-4/h5-6,12,14H,7H2,1-4H3
InChIKeyBTRALIBVHMBAKB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.98
Rot. Bonds5

About 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol

4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol (PubChem CID 83002999) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
PubChem CID83002999
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNN(C)C)cc(OC)c1O
InChIInChI=1S/C11H18N2O3/c1-13(2)12-7-8-5-9(15-3)11(14)10(6-8)16-4/h5-6,12,14H,7H2,1-4H3
InChIKeyBTRALIBVHMBAKB-UHFFFAOYSA-N
XLogP0.98
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.98
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

4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43547176

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol (CID 83002999) is 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol is COc1cc(CNN(C)C)cc(OC)c1O.
What is the InChIKey of 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol?
The InChIKey is BTRALIBVHMBAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(2)12-7-8-5-9(15-3)11(14)10(6-8)16-4/h5-6,12,14H,7H2,1-4H3.
What are the key properties of 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol?
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol has a molecular weight of 226.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 83002999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).