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

C11H17NO3 — CID 10066574

IUPAC4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN(C)C)cc(OC)c1O
InChIInChI=1S/C11H17NO3/c1-12(2)7-8-5-9(14-3)11(13)10(6-8)15-4/h5-6,13H,7H2,1-4H3
InChIKeyBUUOTZKSGGVVAY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds4

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

4-[(dimethylamino)methyl]-2,6-dimethoxyphenol (PubChem CID 10066574) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
PubChem CID10066574
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN(C)C)cc(OC)c1O
InChIInChI=1S/C11H17NO3/c1-12(2)7-8-5-9(14-3)11(13)10(6-8)15-4/h5-6,13H,7H2,1-4H3
InChIKeyBUUOTZKSGGVVAY-UHFFFAOYSA-N
XLogP1.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-methoxyphenol
CID 170864806
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
CID 83002999
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
2-[5-[(dimethylamino)methyl]-2-hydroxy-3-methoxybenzoyl]-N-iodobenzamide
CID 130383057
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol (CID 10066574) is 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol is COc1cc(CN(C)C)cc(OC)c1O.
What is the InChIKey of 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol?
The InChIKey is BUUOTZKSGGVVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(2)7-8-5-9(14-3)11(13)10(6-8)15-4/h5-6,13H,7H2,1-4H3.
What are the key properties of 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol?
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol has a molecular weight of 211.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 10066574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).