2,3,4,5-tetramethyl-6-(methylamino)phenol

C11H17NO — CID 54440746

IUPAC2,3,4,5-tetramethyl-6-(methylamino)phenol
SMILESCNc1c(C)c(C)c(C)c(C)c1O
InChIInChI=1S/C11H17NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h12-13H,1-5H3
InChIKeyWNXNWVJNGCOIJQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.67
Rot. Bonds1

About 2,3,4,5-tetramethyl-6-(methylamino)phenol

2,3,4,5-tetramethyl-6-(methylamino)phenol (PubChem CID 54440746) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-6-(methylamino)phenol.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-6-(methylamino)phenol
PubChem CID54440746
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,3,4,5-tetramethyl-6-(methylamino)phenol
SMILESCNc1c(C)c(C)c(C)c(C)c1O
InChIInChI=1S/C11H17NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h12-13H,1-5H3
InChIKeyWNXNWVJNGCOIJQ-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-6-(methylamino)phenol?
The IUPAC name of 2,3,4,5-tetramethyl-6-(methylamino)phenol (CID 54440746) is 2,3,4,5-tetramethyl-6-(methylamino)phenol.
What is the SMILES notation for 2,3,4,5-tetramethyl-6-(methylamino)phenol?
The canonical SMILES for 2,3,4,5-tetramethyl-6-(methylamino)phenol is CNc1c(C)c(C)c(C)c(C)c1O.
What is the InChIKey of 2,3,4,5-tetramethyl-6-(methylamino)phenol?
The InChIKey is WNXNWVJNGCOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-7(2)9(4)11(13)10(12-5)8(6)3/h12-13H,1-5H3.
What are the key properties of 2,3,4,5-tetramethyl-6-(methylamino)phenol?
2,3,4,5-tetramethyl-6-(methylamino)phenol has a molecular weight of 179.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-6-(methylamino)phenol is sourced from PubChem (CID 54440746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).