2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid

C14H15NO4 — CID 81305282

IUPAC2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NCCc2ccco2)c1
InChIInChI=1S/C14H15NO4/c1-18-11-4-5-12(14(16)17)13(9-11)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyNUAUPKWLNLONDW-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid

2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid (PubChem CID 81305282) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
PubChem CID81305282
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NCCc2ccco2)c1
InChIInChI=1S/C14H15NO4/c1-18-11-4-5-12(14(16)17)13(9-11)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,17)
InChIKeyNUAUPKWLNLONDW-UHFFFAOYSA-N
XLogP2.64
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-carbonylamino)-4-methoxybenzoic acid
CID 110465753
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-(3-ethoxypropylamino)-4-methoxybenzoic acid
CID 81305278
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
4-methoxy-2-(3-propoxypropylamino)benzoic acid
CID 82947075
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749
4-[2-(furan-2-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 62709632
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methoxybenzoic acid
CID 106248544
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-[[2-(furan-2-yl)ethylamino]methyl]-5-methoxyphenol
CID 61263621
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid (CID 81305282) is 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NCCc2ccco2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid?
The InChIKey is NUAUPKWLNLONDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-11-4-5-12(14(16)17)13(9-11)15-7-6-10-3-2-8-19-10/h2-5,8-9,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid?
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 81305282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).