3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline

C13H15NO2 — CID 61318608

IUPAC3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(C)oc1C
InChIInChI=1S/C13H15NO2/c1-8-6-11(9(2)16-8)12-7-10(14)4-5-13(12)15-3/h4-7H,14H2,1-3H3
InChIKeyIWSOEDFTSHTCCF-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.15
Rot. Bonds2

About 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline

3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline (PubChem CID 61318608) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
PubChem CID61318608
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1-c1cc(C)oc1C
InChIInChI=1S/C13H15NO2/c1-8-6-11(9(2)16-8)12-7-10(14)4-5-13(12)15-3/h4-7H,14H2,1-3H3
InChIKeyIWSOEDFTSHTCCF-UHFFFAOYSA-N
XLogP3.15
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline (CID 61318608) is 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline is COc1ccc(N)cc1-c1cc(C)oc1C.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline?
The InChIKey is IWSOEDFTSHTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-6-11(9(2)16-8)12-7-10(14)4-5-13(12)15-3/h4-7H,14H2,1-3H3.
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline?
3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline has a molecular weight of 217.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-4-methoxyaniline is sourced from PubChem (CID 61318608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).