1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine

C16H21NO2 — CID 117402359

IUPAC1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
SMILESCc1c2c(c(C3(N)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C16H21NO2/c1-8-6-11-10(3)14-12(7-9(2)18-14)13(15(11)19-8)16(17)4-5-16/h8-9H,4-7,17H2,1-3H3
InChIKeyHTRGCHZTZIYIDU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds1

About 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine

1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine (PubChem CID 117402359) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
PubChem CID117402359
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
SMILESCc1c2c(c(C3(N)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C16H21NO2/c1-8-6-11-10(3)14-12(7-9(2)18-14)13(15(11)19-8)16(17)4-5-16/h8-9H,4-7,17H2,1-3H3
InChIKeyHTRGCHZTZIYIDU-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine (CID 117402359) is 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine is Cc1c2c(c(C3(N)CC3)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine?
The InChIKey is HTRGCHZTZIYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-8-6-11-10(3)14-12(7-9(2)18-14)13(15(11)19-8)16(17)4-5-16/h8-9H,4-7,17H2,1-3H3.
What are the key properties of 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine?
1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 117402359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).