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

C16H19NO3 — CID 769110

IUPAC5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)11-13-10-14(16(18)19)15(20-13)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyJHOVMQMLNCCFTP-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.49
Rot. Bonds6

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

5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid (PubChem CID 769110) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid
PubChem CID769110
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid
SMILESCCN(CC)Cc1cc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C16H19NO3/c1-3-17(4-2)11-13-10-14(16(18)19)15(20-13)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyJHOVMQMLNCCFTP-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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid?
The IUPAC name of 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid (CID 769110) is 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid?
The canonical SMILES for 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid is CCN(CC)Cc1cc(C(=O)O)c(-c2ccccc2)o1.
What is the InChIKey of 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid?
The InChIKey is JHOVMQMLNCCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(4-2)11-13-10-14(16(18)19)15(20-13)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid?
5-(diethylaminomethyl)-2-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 5-(diethylaminomethyl)-2-phenylfuran-3-carboxylic acid is sourced from PubChem (CID 769110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).