4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid

C14H15NO4 — CID 103267862

IUPAC4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNCc2ccoc2)cc1
InChIInChI=1S/C14H15NO4/c16-14(17)12-1-3-13(4-2-12)19-8-6-15-9-11-5-7-18-10-11/h1-5,7,10,15H,6,8-9H2,(H,16,17)
InChIKeyCJENRPZVGARPHT-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.15
Rot. Bonds7

About 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid

4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid (PubChem CID 103267862) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid
PubChem CID103267862
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCNCc2ccoc2)cc1
InChIInChI=1S/C14H15NO4/c16-14(17)12-1-3-13(4-2-12)19-8-6-15-9-11-5-7-18-10-11/h1-5,7,10,15H,6,8-9H2,(H,16,17)
InChIKeyCJENRPZVGARPHT-UHFFFAOYSA-N
XLogP2.15
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-2-[4-(2-methoxyethyl)phenoxy]ethanamine
CID 62598072
4-[2-(1,2-oxazol-3-ylmethylamino)ethoxy]benzoic acid
CID 103259736
4-[2-[(2-bromophenyl)methylamino]ethoxy]benzoic acid
CID 103244798
4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727
4-[2-(butylamino)ethoxy]benzoic acid
CID 103232655
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
4-[2-(2-cyclopropylethylamino)ethoxy]benzoic acid
CID 103255061
4-[2-[(3-ethoxy-3-oxopropyl)amino]ethoxy]benzoic acid
CID 103245358
4-[2-(1,3-dihydroxypropan-2-ylamino)ethoxy]benzoic acid
CID 103237002
4-[2-[2-(2-amino-2-oxoethoxy)ethylamino]ethoxy]benzoic acid
CID 106238465
4-[2-[(3-methyl-2-propan-2-ylbutyl)amino]ethoxy]benzoic acid
CID 103268744

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid (CID 103267862) is 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid is O=C(O)c1ccc(OCCNCc2ccoc2)cc1.
What is the InChIKey of 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid?
The InChIKey is CJENRPZVGARPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-14(17)12-1-3-13(4-2-12)19-8-6-15-9-11-5-7-18-10-11/h1-5,7,10,15H,6,8-9H2,(H,16,17).
What are the key properties of 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid?
4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103267862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).