2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid

C16H19NO3 — CID 844978

IUPAC2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)11-15-13(16(18)19)10-14(20-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyHKHTZGVVVJKHIW-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.49
Rot. Bonds6

About 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid

2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid (PubChem CID 844978) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid
PubChem CID844978
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1oc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)11-15-13(16(18)19)10-14(20-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyHKHTZGVVVJKHIW-UHFFFAOYSA-N
XLogP3.49
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 687980
CID 687980
CID 672004
CID 672004
CID 2921000
CID 2921000
CID 119222427
CID 119222427
CID 674054
CID 674054
CID 596838
CID 596838
CID 623914
CID 623914
CID 6603658
CID 6603658
CID 586928
CID 586928
CID 16187039
CID 16187039
CID 653527
CID 653527
CID 1254675
CID 1254675

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid?
The IUPAC name of 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid (CID 844978) is 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid?
The canonical SMILES for 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid is CCN(CC)Cc1oc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid?
The InChIKey is HKHTZGVVVJKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(4-2)11-15-13(16(18)19)10-14(20-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid?
2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).