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

C14H15NO4 — CID 103231836

IUPAC2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1CNCc1occc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-15-9-13-11(14(16)17)6-7-19-13/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyUUGLRCBMVYLUIE-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.28
Rot. Bonds6

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

2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103231836) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID103231836
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
SMILESCOc1ccccc1CNCc1occc1C(=O)O
InChIInChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-15-9-13-11(14(16)17)6-7-19-13/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyUUGLRCBMVYLUIE-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

2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103292963
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103258081
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 127265972
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid (CID 103231836) is 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is COc1ccccc1CNCc1occc1C(=O)O.
What is the InChIKey of 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is UUGLRCBMVYLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-12-5-3-2-4-10(12)8-15-9-13-11(14(16)17)6-7-19-13/h2-7,15H,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid?
2-[[(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 2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103231836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).