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

C16H17NO2S — CID 146380506

IUPAC(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C16H17NO2S/c1-17-9-7-13(15-6-3-11-20-15)19-14-5-2-4-12-8-10-18-16(12)14/h2-6,8,10-11,13,17H,7,9H2,1H3/t13-/m1/s1
InChIKeyCEIJDMGTGPUTEZ-CYBMUJFWSA-N
MW287.38 g/mol
LogP4.22
Rot. Bonds6

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

(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 146380506) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID146380506
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccoc12)c1cccs1
InChIInChI=1S/C16H17NO2S/c1-17-9-7-13(15-6-3-11-20-15)19-14-5-2-4-12-8-10-18-16(12)14/h2-6,8,10-11,13,17H,7,9H2,1H3/t13-/m1/s1
InChIKeyCEIJDMGTGPUTEZ-CYBMUJFWSA-N
XLogP4.22
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.22
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)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 146380506) is (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2ccoc12)c1cccs1.
What is the InChIKey of (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is CEIJDMGTGPUTEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17-9-7-13(15-6-3-11-20-15)19-14-5-2-4-12-8-10-18-16(12)14/h2-6,8,10-11,13,17H,7,9H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine?
(3R)-3-(1-benzofuran-7-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.22, 6 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)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146380506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).