2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid

C16H19NO3 — CID 104548988

IUPAC2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid
SMILESCC(c1ccco1)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-12(15-8-5-11-20-15)17(2)10-9-13-6-3-4-7-14(13)16(18)19/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyRCZILXIVIIHUQC-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.21
Rot. Bonds6

About 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid

2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid (PubChem CID 104548988) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid
PubChem CID104548988
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid
SMILESCC(c1ccco1)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C16H19NO3/c1-12(15-8-5-11-20-15)17(2)10-9-13-6-3-4-7-14(13)16(18)19/h3-8,11-12H,9-10H2,1-2H3,(H,18,19)
InChIKeyRCZILXIVIIHUQC-UHFFFAOYSA-N
XLogP3.21
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic 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

2-[2-[but-3-en-2-yl(methyl)amino]ethyl]benzoic acid
CID 104548719
2-[2-[methyl(4-methylpentan-2-yl)amino]ethyl]benzoic acid
CID 113425742
3-chloro-2-[[1-(furan-2-yl)ethyl-methylamino]methyl]benzoic acid
CID 138003731
2-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-methylamino]ethyl]benzoic acid
CID 104548746
2-[2-[methyl-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]ethyl]benzoic acid
CID 104548683
2-[2-[(2-amino-3-methylbutanoyl)-methylamino]ethyl]benzoic acid
CID 104548293
2-[2-[(1-amino-1-oxobutan-2-yl)-methylamino]ethyl]benzoic acid
CID 113425715
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
2-[2-[[(E)-but-2-enoyl]-methylamino]ethyl]benzoic acid
CID 104546895
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid (CID 104548988) is 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid is CC(c1ccco1)N(C)CCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid?
The InChIKey is RCZILXIVIIHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(15-8-5-11-20-15)17(2)10-9-13-6-3-4-7-14(13)16(18)19/h3-8,11-12H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid?
2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid has a molecular weight of 273.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid is sourced from PubChem (CID 104548988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).