5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid

C16H19NO3 — CID 63317709

IUPAC5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)(CNCc1ccc(C(=O)O)o1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-16(2,12-6-4-3-5-7-12)11-17-10-13-8-9-14(20-13)15(18)19/h3-9,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLFQVIHSHWKUVFM-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds6

About 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid

5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 63317709) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
PubChem CID63317709
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
SMILESCC(C)(CNCc1ccc(C(=O)O)o1)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-16(2,12-6-4-3-5-7-12)11-17-10-13-8-9-14(20-13)15(18)19/h3-9,17H,10-11H2,1-2H3,(H,18,19)
InChIKeyLFQVIHSHWKUVFM-UHFFFAOYSA-N
XLogP3.05
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103240937
5-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]furan-2-carboxylic acid
CID 115359103
5-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]furan-2-carboxylic acid
CID 106143516
5-[[(2-methyl-2-phenylpropanoyl)amino]methyl]furan-2-carboxylic acid
CID 79994106
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
5-[(2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 82096130
5-[(4-benzylanilino)methyl]furan-2-carboxylic acid
CID 10018085
5-(2-cyano-2-phenylpropyl)furan-2-carboxylic acid
CID 82140539
5-[[[2-methyl-2-(2-methylphenyl)propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246063
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid (CID 63317709) is 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid is CC(C)(CNCc1ccc(C(=O)O)o1)c1ccccc1.
What is the InChIKey of 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is LFQVIHSHWKUVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,12-6-4-3-5-7-12)11-17-10-13-8-9-14(20-13)15(18)19/h3-9,17H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid?
5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63317709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).