5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid

C15H17NO4 — CID 104607952

IUPAC5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccc(CCNCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C15H17NO4/c1-19-13-4-2-11(3-5-13)6-7-16-9-14-8-12(10-20-14)15(17)18/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyYEOSBRWFBFXDLK-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.32
Rot. Bonds7

About 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid

5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid (PubChem CID 104607952) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
PubChem CID104607952
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccc(CCNCc2cc(C(=O)O)co2)cc1
InChIInChI=1S/C15H17NO4/c1-19-13-4-2-11(3-5-13)6-7-16-9-14-8-12(10-20-14)15(17)18/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyYEOSBRWFBFXDLK-UHFFFAOYSA-N
XLogP2.32
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
dimethyl 5-[5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate;hydrochloride
CID 17333468
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585947
anisole;4-[2-(ethylamino)ethyl]benzoic acid
CID 174444655
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid (CID 104607952) is 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid is COc1ccc(CCNCc2cc(C(=O)O)co2)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid?
The InChIKey is YEOSBRWFBFXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-13-4-2-11(3-5-13)6-7-16-9-14-8-12(10-20-14)15(17)18/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid?
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).