5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid

C14H15NO4 — CID 104607925

IUPAC5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1CNCc1cc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-18-13-5-3-2-4-10(13)7-15-8-12-6-11(9-19-12)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyRLEAOUTVZZEGJJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.28
Rot. Bonds6

About 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid

5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 104607925) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID104607925
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1CNCc1cc(C(=O)O)co1
InChIInChI=1S/C14H15NO4/c1-18-13-5-3-2-4-10(13)7-15-8-12-6-11(9-19-12)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17)
InChIKeyRLEAOUTVZZEGJJ-UHFFFAOYSA-N
XLogP2.28
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methoxy-3-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608623
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813
2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103231836
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
methyl 5-[[(2-nitrophenyl)methylamino]methyl]furan-3-carboxylate
CID 104586002
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (CID 104607925) is 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is COc1ccccc1CNCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is RLEAOUTVZZEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-13-5-3-2-4-10(13)7-15-8-12-6-11(9-19-12)14(16)17/h2-6,9,15H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).