4-(diethylamino)-5-phenylfuran-2-carbaldehyde

C15H17NO2 — CID 102363660

IUPAC4-(diethylamino)-5-phenylfuran-2-carbaldehyde
SMILESCCN(CC)c1cc(C=O)oc1-c1ccccc1
InChIInChI=1S/C15H17NO2/c1-3-16(4-2)14-10-13(11-17)18-15(14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyYWIBIVQUVOQJOY-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.61
Rot. Bonds5

About 4-(diethylamino)-5-phenylfuran-2-carbaldehyde

4-(diethylamino)-5-phenylfuran-2-carbaldehyde (PubChem CID 102363660) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(diethylamino)-5-phenylfuran-2-carbaldehyde.

Molecular Properties

Compound Name4-(diethylamino)-5-phenylfuran-2-carbaldehyde
PubChem CID102363660
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(diethylamino)-5-phenylfuran-2-carbaldehyde
SMILESCCN(CC)c1cc(C=O)oc1-c1ccccc1
InChIInChI=1S/C15H17NO2/c1-3-16(4-2)14-10-13(11-17)18-15(14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKeyYWIBIVQUVOQJOY-UHFFFAOYSA-N
XLogP3.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-5-phenylfuran-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-5-phenylfuran-2-carbaldehyde?
The IUPAC name of 4-(diethylamino)-5-phenylfuran-2-carbaldehyde (CID 102363660) is 4-(diethylamino)-5-phenylfuran-2-carbaldehyde.
What is the SMILES notation for 4-(diethylamino)-5-phenylfuran-2-carbaldehyde?
The canonical SMILES for 4-(diethylamino)-5-phenylfuran-2-carbaldehyde is CCN(CC)c1cc(C=O)oc1-c1ccccc1.
What is the InChIKey of 4-(diethylamino)-5-phenylfuran-2-carbaldehyde?
The InChIKey is YWIBIVQUVOQJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-16(4-2)14-10-13(11-17)18-15(14)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-(diethylamino)-5-phenylfuran-2-carbaldehyde?
4-(diethylamino)-5-phenylfuran-2-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-5-phenylfuran-2-carbaldehyde is sourced from PubChem (CID 102363660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).