2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid

C14H16N2O3 — CID 106760141

IUPAC2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid
SMILESCN(C)c1ccccc1NCc1occc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-16(2)12-6-4-3-5-11(12)15-9-13-10(14(17)18)7-8-19-13/h3-8,15H,9H2,1-2H3,(H,17,18)
InChIKeyMSHFQJAKRKBUJO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.66
Rot. Bonds5

About 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid

2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid (PubChem CID 106760141) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid
PubChem CID106760141
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid
SMILESCN(C)c1ccccc1NCc1occc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-16(2)12-6-4-3-5-11(12)15-9-13-10(14(17)18)7-8-19-13/h3-8,15H,9H2,1-2H3,(H,17,18)
InChIKeyMSHFQJAKRKBUJO-UHFFFAOYSA-N
XLogP2.66
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-fluoroanilino)methyl]furan-3-carboxylic acid
CID 103236435
2-[(2-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 114264135
2-[(2-bromo-4-methylanilino)methyl]furan-3-carboxylic acid
CID 103231652
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-[(2,3,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249632
2-[(4-iodoanilino)methyl]furan-3-carboxylic acid
CID 103236756
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
2-[(5-bromo-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 103247626
2-[(2-bromo-5-chloroanilino)methyl]furan-3-carboxylic acid
CID 103259571
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
3-[2-(dimethylamino)anilino]-2,2-dimethylpropanoic acid
CID 106759821
2-[(3-propan-2-ylanilino)methyl]furan-3-carboxylic acid
CID 103236549

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid (CID 106760141) is 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid is CN(C)c1ccccc1NCc1occc1C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid?
The InChIKey is MSHFQJAKRKBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(2)12-6-4-3-5-11(12)15-9-13-10(14(17)18)7-8-19-13/h3-8,15H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid?
2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)anilino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106760141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).