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

C17H25NO2 — CID 117440762

IUPAC3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
SMILESCc1c2c(c(C(C)CCN)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C17H25NO2/c1-9(5-6-18)15-14-8-11(3)19-16(14)12(4)13-7-10(2)20-17(13)15/h9-11H,5-8,18H2,1-4H3
InChIKeyAFYCOGTUGGCVGL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.09
Rot. Bonds3

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

3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine (PubChem CID 117440762) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
PubChem CID117440762
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
SMILESCc1c2c(c(C(C)CCN)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C17H25NO2/c1-9(5-6-18)15-14-8-11(3)19-16(14)12(4)13-7-10(2)20-17(13)15/h9-11H,5-8,18H2,1-4H3
InChIKeyAFYCOGTUGGCVGL-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine?
The IUPAC name of 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine (CID 117440762) is 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine.
What is the SMILES notation for 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine?
The canonical SMILES for 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine is Cc1c2c(c(C(C)CCN)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine?
The InChIKey is AFYCOGTUGGCVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-9(5-6-18)15-14-8-11(3)19-16(14)12(4)13-7-10(2)20-17(13)15/h9-11H,5-8,18H2,1-4H3.
What are the key properties of 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine?
3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine is sourced from PubChem (CID 117440762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).