5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid

C15H17NO3 — CID 103235795

IUPAC5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCc1ccc(NCc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C15H17NO3/c1-3-11-4-6-12(7-5-11)16-9-13-8-14(15(17)18)10(2)19-13/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyMSFKOXCCOCRQEM-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.46
Rot. Bonds5

About 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid

5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 103235795) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID103235795
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCc1ccc(NCc2cc(C(=O)O)c(C)o2)cc1
InChIInChI=1S/C15H17NO3/c1-3-11-4-6-12(7-5-11)16-9-13-8-14(15(17)18)10(2)19-13/h4-8,16H,3,9H2,1-2H3,(H,17,18)
InChIKeyMSFKOXCCOCRQEM-UHFFFAOYSA-N
XLogP3.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(4-nitroanilino)methyl]furan-3-carboxylic acid
CID 61024313
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 81261708
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233603
5-[(3-bromo-4-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103266448
5-[(1,3-benzothiazol-6-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 107805894
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
5-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 65270189
5-[[(5-bromo-3-pyridinyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114222421
5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 62962247
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid (CID 103235795) is 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid is CCc1ccc(NCc2cc(C(=O)O)c(C)o2)cc1.
What is the InChIKey of 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is MSFKOXCCOCRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-11-4-6-12(7-5-11)16-9-13-8-14(15(17)18)10(2)19-13/h4-8,16H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 103235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).