2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine

C12H15NO2 — CID 115010472

IUPAC2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
SMILESCC1Cc2c(cc3c(c2N)OC(C)C3)O1
InChIInChI=1S/C12H15NO2/c1-6-3-8-5-10-9(4-7(2)14-10)11(13)12(8)15-6/h5-7H,3-4,13H2,1-2H3
InChIKeyNRXJILURIIPYEU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds

About 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine

2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine (PubChem CID 115010472) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
PubChem CID115010472
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine
SMILESCC1Cc2c(cc3c(c2N)OC(C)C3)O1
InChIInChI=1S/C12H15NO2/c1-6-3-8-5-10-9(4-7(2)14-10)11(13)12(8)15-6/h5-7H,3-4,13H2,1-2H3
InChIKeyNRXJILURIIPYEU-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
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 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine?
The IUPAC name of 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine (CID 115010472) is 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine.
What is the SMILES notation for 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine?
The canonical SMILES for 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine is CC1Cc2c(cc3c(c2N)OC(C)C3)O1.
What is the InChIKey of 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine?
The InChIKey is NRXJILURIIPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-6-3-8-5-10-9(4-7(2)14-10)11(13)12(8)15-6/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine?
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-amine is sourced from PubChem (CID 115010472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).