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

C16H21NO2 — CID 117402373

IUPAC1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine
SMILESCC1Cc2c(cc3c(c2CC2(N)CC2)OC(C)C3)O1
InChIInChI=1S/C16H21NO2/c1-9-5-11-7-14-12(6-10(2)18-14)13(15(11)19-9)8-16(17)3-4-16/h7,9-10H,3-6,8,17H2,1-2H3
InChIKeyWRDHJUZSBRSVLA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.37
Rot. Bonds2

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

1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine (PubChem CID 117402373) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine
PubChem CID117402373
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine
SMILESCC1Cc2c(cc3c(c2CC2(N)CC2)OC(C)C3)O1
InChIInChI=1S/C16H21NO2/c1-9-5-11-7-14-12(6-10(2)18-14)13(15(11)19-9)8-16(17)3-4-16/h7,9-10H,3-6,8,17H2,1-2H3
InChIKeyWRDHJUZSBRSVLA-UHFFFAOYSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine (CID 117402373) is 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine is CC1Cc2c(cc3c(c2CC2(N)CC2)OC(C)C3)O1.
What is the InChIKey of 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is WRDHJUZSBRSVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-9-5-11-7-14-12(6-10(2)18-14)13(15(11)19-9)8-16(17)3-4-16/h7,9-10H,3-6,8,17H2,1-2H3.
What are the key properties of 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine?
1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117402373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).