3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline

C16H15NO2 — CID 116986264

IUPAC3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline
SMILESNc1cccc(-c2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C16H15NO2/c17-12-3-1-2-10(8-12)15-13-5-7-18-14(13)9-11-4-6-19-16(11)15/h1-3,8-9H,4-7,17H2
InChIKeyMAWIMMVCZPJYDE-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.81
Rot. Bonds1

About 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline

3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline (PubChem CID 116986264) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline.

Molecular Properties

Compound Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline
PubChem CID116986264
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline
SMILESNc1cccc(-c2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C16H15NO2/c17-12-3-1-2-10(8-12)15-13-5-7-18-14(13)9-11-4-6-19-16(11)15/h1-3,8-9H,4-7,17H2
InChIKeyMAWIMMVCZPJYDE-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.81
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-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline?
The IUPAC name of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline (CID 116986264) is 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline.
What is the SMILES notation for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline?
The canonical SMILES for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline is Nc1cccc(-c2c3c(cc4c2OCC4)OCC3)c1.
What is the InChIKey of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline?
The InChIKey is MAWIMMVCZPJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-12-3-1-2-10(8-12)15-13-5-7-18-14(13)9-11-4-6-19-16(11)15/h1-3,8-9H,4-7,17H2.
What are the key properties of 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline?
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline has a molecular weight of 253.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)aniline is sourced from PubChem (CID 116986264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).