5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol

C19H24N2O — CID 2270828

IUPAC5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol
SMILESCCN(CC)c1ccc(/C=N/CCc2ccccc2)c(O)c1
InChIInChI=1S/C19H24N2O/c1-3-21(4-2)18-11-10-17(19(22)14-18)15-20-13-12-16-8-6-5-7-9-16/h5-11,14-15,22H,3-4,12-13H2,1-2H3/b20-15+
InChIKeyFRHNPJSKDIIXAY-HMMYKYKNSA-N
MW296.41 g/mol
LogP3.90
Rot. Bonds7

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

5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol (PubChem CID 2270828) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol
PubChem CID2270828
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol
SMILESCCN(CC)c1ccc(/C=N/CCc2ccccc2)c(O)c1
InChIInChI=1S/C19H24N2O/c1-3-21(4-2)18-11-10-17(19(22)14-18)15-20-13-12-16-8-6-5-7-9-16/h5-11,14-15,22H,3-4,12-13H2,1-2H3/b20-15+
InChIKeyFRHNPJSKDIIXAY-HMMYKYKNSA-N
XLogP3.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol?
The IUPAC name of 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol (CID 2270828) is 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol.
What is the SMILES notation for 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol?
The canonical SMILES for 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol is CCN(CC)c1ccc(/C=N/CCc2ccccc2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol?
The InChIKey is FRHNPJSKDIIXAY-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-21(4-2)18-11-10-17(19(22)14-18)15-20-13-12-16-8-6-5-7-9-16/h5-11,14-15,22H,3-4,12-13H2,1-2H3/b20-15+.
What are the key properties of 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol?
5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol has a molecular weight of 296.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(2-phenylethyliminomethyl)phenol is sourced from PubChem (CID 2270828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).