3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid

C16H19NO4 — CID 103240283

IUPAC3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
SMILESCCOCc1ccccc1CNCc1ccoc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-2-20-11-14-6-4-3-5-12(14)9-17-10-13-7-8-21-15(13)16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyHVIKOQOFKXCWTP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.80
Rot. Bonds8

About 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid

3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid (PubChem CID 103240283) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
PubChem CID103240283
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid
SMILESCCOCc1ccccc1CNCc1ccoc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-2-20-11-14-6-4-3-5-12(14)9-17-10-13-7-8-21-15(13)16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19)
InChIKeyHVIKOQOFKXCWTP-UHFFFAOYSA-N
XLogP2.80
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethoxymethyl)furan-2-carboxylic acid
CID 43153128
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
CID 103261384
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
3-[[[2-(diethylamino)-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 103263564
3-[(2,6-diethylanilino)methyl]furan-2-carboxylic acid
CID 103248262
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
3-[(3-methylpentan-2-ylamino)methyl]furan-2-carboxylic acid
CID 103244049
3-[(hexylamino)methyl]furan-2-carboxylic acid
CID 103251780
3-[(thiophen-3-ylmethylamino)methyl]furan-2-carboxylic acid
CID 103250511
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103248940

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid (CID 103240283) is 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid is CCOCc1ccccc1CNCc1ccoc1C(=O)O.
What is the InChIKey of 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid?
The InChIKey is HVIKOQOFKXCWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-2-20-11-14-6-4-3-5-12(14)9-17-10-13-7-8-21-15(13)16(18)19/h3-8,17H,2,9-11H2,1H3,(H,18,19).
What are the key properties of 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid?
3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethoxymethyl)phenyl]methylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103240283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).