4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol

C11H17NO2 — CID 22755151

IUPAC4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol
SMILESCCN(c1ccc(O)c(C)c1)C(C)O
InChIInChI=1S/C11H17NO2/c1-4-12(9(3)13)10-5-6-11(14)8(2)7-10/h5-7,9,13-14H,4H2,1-3H3
InChIKeyACDJFBDBSBMNJU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds3

About 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol

4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol (PubChem CID 22755151) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol.

Molecular Properties

Compound Name4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol
PubChem CID22755151
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol
SMILESCCN(c1ccc(O)c(C)c1)C(C)O
InChIInChI=1S/C11H17NO2/c1-4-12(9(3)13)10-5-6-11(14)8(2)7-10/h5-7,9,13-14H,4H2,1-3H3
InChIKeyACDJFBDBSBMNJU-UHFFFAOYSA-N
XLogP1.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol?
The IUPAC name of 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol (CID 22755151) is 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol.
What is the SMILES notation for 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol?
The canonical SMILES for 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol is CCN(c1ccc(O)c(C)c1)C(C)O.
What is the InChIKey of 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol?
The InChIKey is ACDJFBDBSBMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12(9(3)13)10-5-6-11(14)8(2)7-10/h5-7,9,13-14H,4H2,1-3H3.
What are the key properties of 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol?
4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol is sourced from PubChem (CID 22755151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).