2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine

C14H17NO — CID 83835621

IUPAC2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(c1ccc2occc2c1)C1CC1
InChIInChI=1S/C14H17NO/c1-14(9-15,11-2-3-11)12-4-5-13-10(8-12)6-7-16-13/h4-8,11H,2-3,9,15H2,1H3
InChIKeyWNVGLBRJYXAMDR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.06
Rot. Bonds3

About 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine

2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine (PubChem CID 83835621) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
PubChem CID83835621
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(c1ccc2occc2c1)C1CC1
InChIInChI=1S/C14H17NO/c1-14(9-15,11-2-3-11)12-4-5-13-10(8-12)6-7-16-13/h4-8,11H,2-3,9,15H2,1H3
InChIKeyWNVGLBRJYXAMDR-UHFFFAOYSA-N
XLogP3.06
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine (CID 83835621) is 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine is CC(CN)(c1ccc2occc2c1)C1CC1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine?
The InChIKey is WNVGLBRJYXAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(9-15,11-2-3-11)12-4-5-13-10(8-12)6-7-16-13/h4-8,11H,2-3,9,15H2,1H3.
What are the key properties of 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine?
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 83835621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).