(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine

C15H15NO2S — CID 146380501

IUPAC(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine
SMILESNCC[C@@H](Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C15H15NO2S/c16-8-6-12(14-5-2-10-19-14)18-13-4-1-3-11-7-9-17-15(11)13/h1-5,7,9-10,12H,6,8,16H2/t12-/m1/s1
InChIKeyNTKANPRTBSLIFW-GFCCVEGCSA-N
MW273.36 g/mol
LogP3.96
Rot. Bonds5

About (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine

(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine (PubChem CID 146380501) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine
PubChem CID146380501
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine
SMILESNCC[C@@H](Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C15H15NO2S/c16-8-6-12(14-5-2-10-19-14)18-13-4-1-3-11-7-9-17-15(11)13/h1-5,7,9-10,12H,6,8,16H2/t12-/m1/s1
InChIKeyNTKANPRTBSLIFW-GFCCVEGCSA-N
XLogP3.96
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine (CID 146380501) is (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine is NCC[C@@H](Oc1cccc2ccoc12)c1cccs1.
What is the InChIKey of (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is NTKANPRTBSLIFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15NO2S/c16-8-6-12(14-5-2-10-19-14)18-13-4-1-3-11-7-9-17-15(11)13/h1-5,7,9-10,12H,6,8,16H2/t12-/m1/s1.
What are the key properties of (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine?
(3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzofuran-7-yloxy)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146380501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).