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

C14H14BrNO3 — CID 55053760

IUPAC5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO3/c1-16(7-10-4-2-3-5-13(10)15)8-12-6-11(9-19-12)14(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeySQOUJKXWDJKLRB-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.37
Rot. Bonds5

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

5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid (PubChem CID 55053760) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
PubChem CID55053760
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid
SMILESCN(Cc1cc(C(=O)O)co1)Cc1ccccc1Br
InChIInChI=1S/C14H14BrNO3/c1-16(7-10-4-2-3-5-13(10)15)8-12-6-11(9-19-12)14(17)18/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeySQOUJKXWDJKLRB-UHFFFAOYSA-N
XLogP3.37
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-bromophenyl)methyl-methylamino]methyl]-3-fluorobenzoic acid
CID 63074188
5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-carboxylic acid
CID 62268004
3-bromo-4-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 102767025
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
5-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-carboxylic acid
CID 112661456
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776
5-[[cyclopentyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 62267288
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]furan-3-carboxylic acid
CID 62269958
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid (CID 55053760) is 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid is CN(Cc1cc(C(=O)O)co1)Cc1ccccc1Br.
What is the InChIKey of 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is SQOUJKXWDJKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-16(7-10-4-2-3-5-13(10)15)8-12-6-11(9-19-12)14(17)18/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid?
5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 324.17 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-bromophenyl)methyl-methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55053760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).