3,4-bis(dimethylamino)-2-methylphenol

C11H18N2O — CID 66869204

IUPAC3,4-bis(dimethylamino)-2-methylphenol
SMILESCc1c(O)ccc(N(C)C)c1N(C)C
InChIInChI=1S/C11H18N2O/c1-8-10(14)7-6-9(12(2)3)11(8)13(4)5/h6-7,14H,1-5H3
InChIKeyOTMSFOZMHPULTR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds2

About 3,4-bis(dimethylamino)-2-methylphenol

3,4-bis(dimethylamino)-2-methylphenol (PubChem CID 66869204) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,4-bis(dimethylamino)-2-methylphenol.

Molecular Properties

Compound Name3,4-bis(dimethylamino)-2-methylphenol
PubChem CID66869204
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,4-bis(dimethylamino)-2-methylphenol
SMILESCc1c(O)ccc(N(C)C)c1N(C)C
InChIInChI=1S/C11H18N2O/c1-8-10(14)7-6-9(12(2)3)11(8)13(4)5/h6-7,14H,1-5H3
InChIKeyOTMSFOZMHPULTR-UHFFFAOYSA-N
XLogP1.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(dimethylamino)-2-methylphenol?
The IUPAC name of 3,4-bis(dimethylamino)-2-methylphenol (CID 66869204) is 3,4-bis(dimethylamino)-2-methylphenol.
What is the SMILES notation for 3,4-bis(dimethylamino)-2-methylphenol?
The canonical SMILES for 3,4-bis(dimethylamino)-2-methylphenol is Cc1c(O)ccc(N(C)C)c1N(C)C.
What is the InChIKey of 3,4-bis(dimethylamino)-2-methylphenol?
The InChIKey is OTMSFOZMHPULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-10(14)7-6-9(12(2)3)11(8)13(4)5/h6-7,14H,1-5H3.
What are the key properties of 3,4-bis(dimethylamino)-2-methylphenol?
3,4-bis(dimethylamino)-2-methylphenol has a molecular weight of 194.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(dimethylamino)-2-methylphenol is sourced from PubChem (CID 66869204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).