3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine

C83H94ClN5O9S4 — CID 158180525

About 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine

3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine (PubChem CID 158180525) has the molecular formula C83H94ClN5O9S4 and a molecular weight of 1469.41 g/mol. Its IUPAC name is 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

• Compound Name: 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
• PubChem CID: 158180525
• Molecular Formula: C83H94ClN5O9S4
• Molecular Weight: 1469.41 g/mol
• Exact Mass: 1467.56
• IUPAC Name: 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
• SMILES: CNCCC(Oc1cccc2c1CCC2)c1cccs1.CNCCC(Oc1cccc2c1CCCC2)c1cccs1.CNCCC(Oc1cccc2ccoc12)c1ccc(Cl)s1.CNCCC(Oc1cccc2ccoc12)c1ccco1.CNCCC(Oc1cccc2occc12)c1cccs1
• InChI: InChI=1S/C18H23NOS.C17H21NOS.C16H16ClNO2S.C16H17NO3.C16H17NO2S/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-2-7-14(13)15;1-18-9-7-12(14-5-6-15(17)21-14)20-13-4-2-3-11-8-10-19-16(11)13;1-17-9-7-14(13-6-3-10-18-13)20-15-5-2-4-12-8-11-19-16(12)15;1-17-9-7-15(16-6-3-11-20-16)19-14-5-2-4-13-12(14)8-10-18-13/h4-5,7,9-10,13,17,19H,2-3,6,8,11-12H2,1H3;3-4,6,8-9,12,16,18H,2,5,7,10-11H2,1H3;2-6,8,10,12,18H,7,9H2,1H3;2-6,8,10-11,14,17H,7,9H2,1H3;2-6,8,10-11,15,17H,7,9H2,1H3
• InChIKey: FYNKRJRJBCILIZ-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 158.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.41
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?

The IUPAC name of 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine (CID 158180525) is 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine.

What is the SMILES notation for 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?

The canonical SMILES for 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1cccc2c1CCC2)c1cccs1.CNCCC(Oc1cccc2c1CCCC2)c1cccs1.CNCCC(Oc1cccc2ccoc12)c1ccc(Cl)s1.CNCCC(Oc1cccc2ccoc12)c1ccco1.CNCCC(Oc1cccc2occc12)c1cccs1.

What is the InChIKey of 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?

The InChIKey is FYNKRJRJBCILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS.C17H21NOS.C16H16ClNO2S.C16H17NO3.C16H17NO2S/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-2-7-14(13)15;1-18-9-7-12(14-5-6-15(17)21-14)20-13-4-2-3-11-8-10-19-16(11)13;1-17-9-7-14(13-6-3-10-18-13)20-15-5-2-4-12-8-11-19-16(12)15;1-17-9-7-15(16-6-3-11-20-16)19-14-5-2-4-13-12(14)8-10-18-13/h4-5,7,9-10,13,17,19H,2-3,6,8,11-12H2,1H3;3-4,6,8-9,12,16,18H,2,5,7,10-11H2,1H3;2-6,8,10,12,18H,7,9H2,1H3;2-6,8,10-11,14,17H,7,9H2,1H3;2-6,8,10-11,15,17H,7,9H2,1H3.

What are the key properties of 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?

3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 1469.41 g/mol, XLogP of 21.18, 30 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 158180525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).