3-(diethylamino)-2-methylphenol

C11H17NO — CID 54394166

IUPAC3-(diethylamino)-2-methylphenol
SMILESCCN(CC)c1cccc(O)c1C
InChIInChI=1S/C11H17NO/c1-4-12(5-2)10-7-6-8-11(13)9(10)3/h6-8,13H,4-5H2,1-3H3
InChIKeyVITHRYCHNRBMMN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.55
Rot. Bonds3

About 3-(diethylamino)-2-methylphenol

3-(diethylamino)-2-methylphenol (PubChem CID 54394166) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(diethylamino)-2-methylphenol.

Molecular Properties

Compound Name3-(diethylamino)-2-methylphenol
PubChem CID54394166
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(diethylamino)-2-methylphenol
SMILESCCN(CC)c1cccc(O)c1C
InChIInChI=1S/C11H17NO/c1-4-12(5-2)10-7-6-8-11(13)9(10)3/h6-8,13H,4-5H2,1-3H3
InChIKeyVITHRYCHNRBMMN-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-methylphenol?
The IUPAC name of 3-(diethylamino)-2-methylphenol (CID 54394166) is 3-(diethylamino)-2-methylphenol.
What is the SMILES notation for 3-(diethylamino)-2-methylphenol?
The canonical SMILES for 3-(diethylamino)-2-methylphenol is CCN(CC)c1cccc(O)c1C.
What is the InChIKey of 3-(diethylamino)-2-methylphenol?
The InChIKey is VITHRYCHNRBMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-12(5-2)10-7-6-8-11(13)9(10)3/h6-8,13H,4-5H2,1-3H3.
What are the key properties of 3-(diethylamino)-2-methylphenol?
3-(diethylamino)-2-methylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-methylphenol is sourced from PubChem (CID 54394166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).