5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid

C15H16FNO4 — CID 63316923

IUPAC5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(F)cc1C(C)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H16FNO4/c1-9(12-7-10(16)3-5-13(12)20-2)17-8-11-4-6-14(21-11)15(18)19/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyWIBBECUMYTZMNI-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.98
Rot. Bonds6

About 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid

5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid (PubChem CID 63316923) has the molecular formula C15H16FNO4 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
PubChem CID63316923
Molecular FormulaC15H16FNO4
Molecular Weight293.29 g/mol
Exact Mass293.11
IUPAC Name5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid
SMILESCOc1ccc(F)cc1C(C)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H16FNO4/c1-9(12-7-10(16)3-5-13(12)20-2)17-8-11-4-6-14(21-11)15(18)19/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyWIBBECUMYTZMNI-UHFFFAOYSA-N
XLogP2.98
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate
CID 43218635
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
5-[[1-(3,4-difluorophenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63316735
5-[[1-(2,5-dimethylphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317147
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
N-[(4-bromo-3-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 80997736
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
5-[[3-(2-methoxyphenyl)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245970
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid (CID 63316923) is 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid is COc1ccc(F)cc1C(C)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid?
The InChIKey is WIBBECUMYTZMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4/c1-9(12-7-10(16)3-5-13(12)20-2)17-8-11-4-6-14(21-11)15(18)19/h3-7,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid?
5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(5-fluoro-2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63316923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).