2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol

C11H17NO3 — CID 117301699

IUPAC2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
SMILESCONCc1cc(C)c(C)c(O)c1OC
InChIInChI=1S/C11H17NO3/c1-7-5-9(6-12-15-4)11(14-3)10(13)8(7)2/h5,12-13H,6H2,1-4H3
InChIKeyJANLLAACEOLXHI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.67
Rot. Bonds4

About 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol

2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol (PubChem CID 117301699) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol.

Molecular Properties

Compound Name2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
PubChem CID117301699
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol
SMILESCONCc1cc(C)c(C)c(O)c1OC
InChIInChI=1S/C11H17NO3/c1-7-5-9(6-12-15-4)11(14-3)10(13)8(7)2/h5,12-13H,6H2,1-4H3
InChIKeyJANLLAACEOLXHI-UHFFFAOYSA-N
XLogP1.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-2-methoxy-3-[(methoxyamino)methyl]phenol
CID 117289816
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
1-(2,3-dimethoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117323976
5-[(methoxyamino)methyl]-2,3-dimethylphenol
CID 117278874
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)-N-methoxymethanamine
CID 117331664
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
5-tert-butyl-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117323974
5-[(methoxyamino)methyl]benzene-1,2,4-triol;hydrochloride
CID 91937662
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol?
The IUPAC name of 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol (CID 117301699) is 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol.
What is the SMILES notation for 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol?
The canonical SMILES for 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol is CONCc1cc(C)c(C)c(O)c1OC.
What is the InChIKey of 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol?
The InChIKey is JANLLAACEOLXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-5-9(6-12-15-4)11(14-3)10(13)8(7)2/h5,12-13H,6H2,1-4H3.
What are the key properties of 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol?
2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol has a molecular weight of 211.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(methoxyamino)methyl]-5,6-dimethylphenol is sourced from PubChem (CID 117301699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).