5-(diethylamino)-2-(hydroxymethyl)phenol

C11H17NO2 — CID 55255374

IUPAC5-(diethylamino)-2-(hydroxymethyl)phenol
SMILESCCN(CC)c1ccc(CO)c(O)c1
InChIInChI=1S/C11H17NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-7,13-14H,3-4,8H2,1-2H3
InChIKeyJKOBCVQSFLQHJE-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.73
Rot. Bonds4

About 5-(diethylamino)-2-(hydroxymethyl)phenol

5-(diethylamino)-2-(hydroxymethyl)phenol (PubChem CID 55255374) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(diethylamino)-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-(hydroxymethyl)phenol
PubChem CID55255374
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(diethylamino)-2-(hydroxymethyl)phenol
SMILESCCN(CC)c1ccc(CO)c(O)c1
InChIInChI=1S/C11H17NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-7,13-14H,3-4,8H2,1-2H3
InChIKeyJKOBCVQSFLQHJE-UHFFFAOYSA-N
XLogP1.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(hydroxymethyl)phenol?
The IUPAC name of 5-(diethylamino)-2-(hydroxymethyl)phenol (CID 55255374) is 5-(diethylamino)-2-(hydroxymethyl)phenol.
What is the SMILES notation for 5-(diethylamino)-2-(hydroxymethyl)phenol?
The canonical SMILES for 5-(diethylamino)-2-(hydroxymethyl)phenol is CCN(CC)c1ccc(CO)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-(hydroxymethyl)phenol?
The InChIKey is JKOBCVQSFLQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-7,13-14H,3-4,8H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-(hydroxymethyl)phenol?
5-(diethylamino)-2-(hydroxymethyl)phenol has a molecular weight of 195.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(hydroxymethyl)phenol is sourced from PubChem (CID 55255374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).