1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

C12H15NO — CID 82404450

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCC1Cc2cc(C3(N)CC3)ccc2O1
InChIInChI=1S/C12H15NO/c1-8-6-9-7-10(12(13)4-5-12)2-3-11(9)14-8/h2-3,7-8H,4-6,13H2,1H3
InChIKeyXCYKMIHFFIBCJW-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.96
Rot. Bonds1

About 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (PubChem CID 82404450) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
PubChem CID82404450
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCC1Cc2cc(C3(N)CC3)ccc2O1
InChIInChI=1S/C12H15NO/c1-8-6-9-7-10(12(13)4-5-12)2-3-11(9)14-8/h2-3,7-8H,4-6,13H2,1H3
InChIKeyXCYKMIHFFIBCJW-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (CID 82404450) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is CC1Cc2cc(C3(N)CC3)ccc2O1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The InChIKey is XCYKMIHFFIBCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-6-9-7-10(12(13)4-5-12)2-3-11(9)14-8/h2-3,7-8H,4-6,13H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 82404450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).