5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid

C15H16FNO3 — CID 103231980

IUPAC5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
SMILESCC(NCCc1ccc(F)cc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H16FNO3/c1-10(13-6-7-14(20-13)15(18)19)17-9-8-11-2-4-12(16)5-3-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyKMFYQOJXXOADIK-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.01
Rot. Bonds6

About 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid

5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid (PubChem CID 103231980) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
PubChem CID103231980
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid
SMILESCC(NCCc1ccc(F)cc1)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H16FNO3/c1-10(13-6-7-14(20-13)15(18)19)17-9-8-11-2-4-12(16)5-3-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyKMFYQOJXXOADIK-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-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

5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
5-[1-[(3,4-difluorophenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103244448
5-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]furan-2-carboxylic acid
CID 114133440
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
5-[1-(4-fluoro-2-methylanilino)ethyl]furan-2-carboxylic acid
CID 103236056
1-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]ethanamine
CID 43093690
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103253263
5-[1-(2,2-dicyclopropylethylamino)ethyl]furan-2-carboxylic acid
CID 103254915
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
N-[2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 43096156

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid (CID 103231980) is 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid is CC(NCCc1ccc(F)cc1)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid?
The InChIKey is KMFYQOJXXOADIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10(13-6-7-14(20-13)15(18)19)17-9-8-11-2-4-12(16)5-3-11/h2-7,10,17H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid?
5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(4-fluorophenyl)ethylamino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103231980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).