2-(diethylamino)-4,5-dimethylphenol

C12H19NO — CID 19419378

IUPAC2-(diethylamino)-4,5-dimethylphenol
SMILESCCN(CC)c1cc(C)c(C)cc1O
InChIInChI=1S/C12H19NO/c1-5-13(6-2)11-7-9(3)10(4)8-12(11)14/h7-8,14H,5-6H2,1-4H3
InChIKeyABCBFHPKGKJBOE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.86
Rot. Bonds3

About 2-(diethylamino)-4,5-dimethylphenol

2-(diethylamino)-4,5-dimethylphenol (PubChem CID 19419378) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(diethylamino)-4,5-dimethylphenol.

Molecular Properties

Compound Name2-(diethylamino)-4,5-dimethylphenol
PubChem CID19419378
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(diethylamino)-4,5-dimethylphenol
SMILESCCN(CC)c1cc(C)c(C)cc1O
InChIInChI=1S/C12H19NO/c1-5-13(6-2)11-7-9(3)10(4)8-12(11)14/h7-8,14H,5-6H2,1-4H3
InChIKeyABCBFHPKGKJBOE-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4,5-dimethylphenol?
The IUPAC name of 2-(diethylamino)-4,5-dimethylphenol (CID 19419378) is 2-(diethylamino)-4,5-dimethylphenol.
What is the SMILES notation for 2-(diethylamino)-4,5-dimethylphenol?
The canonical SMILES for 2-(diethylamino)-4,5-dimethylphenol is CCN(CC)c1cc(C)c(C)cc1O.
What is the InChIKey of 2-(diethylamino)-4,5-dimethylphenol?
The InChIKey is ABCBFHPKGKJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-13(6-2)11-7-9(3)10(4)8-12(11)14/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-4,5-dimethylphenol?
2-(diethylamino)-4,5-dimethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4,5-dimethylphenol is sourced from PubChem (CID 19419378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).