1-benzofuran-2-yl(cyclopropyl)methanamine

C12H13NO — CID 54592802

IUPAC1-benzofuran-2-yl(cyclopropyl)methanamine
SMILESNC(c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C12H13NO/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,7-8,12H,5-6,13H2
InChIKeyTYOXHAPCASBZJK-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.84
Rot. Bonds2

About 1-benzofuran-2-yl(cyclopropyl)methanamine

1-benzofuran-2-yl(cyclopropyl)methanamine (PubChem CID 54592802) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-benzofuran-2-yl(cyclopropyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl(cyclopropyl)methanamine
PubChem CID54592802
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-benzofuran-2-yl(cyclopropyl)methanamine
SMILESNC(c1cc2ccccc2o1)C1CC1
InChIInChI=1S/C12H13NO/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,7-8,12H,5-6,13H2
InChIKeyTYOXHAPCASBZJK-UHFFFAOYSA-N
XLogP2.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(cyclopropyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl(cyclopropyl)methanamine (CID 54592802) is 1-benzofuran-2-yl(cyclopropyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl(cyclopropyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl(cyclopropyl)methanamine is NC(c1cc2ccccc2o1)C1CC1.
What is the InChIKey of 1-benzofuran-2-yl(cyclopropyl)methanamine?
The InChIKey is TYOXHAPCASBZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,7-8,12H,5-6,13H2.
What are the key properties of 1-benzofuran-2-yl(cyclopropyl)methanamine?
1-benzofuran-2-yl(cyclopropyl)methanamine has a molecular weight of 187.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(cyclopropyl)methanamine is sourced from PubChem (CID 54592802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).