2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine

C14H18ClNOS — CID 115841647

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cc(C)oc1C
InChIInChI=1S/C14H18ClNOS/c1-4-16-13(8-11-5-6-14(15)18-11)12-7-9(2)17-10(12)3/h5-7,13,16H,4,8H2,1-3H3
InChIKeyGZIUHXSXRYDKIF-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.50
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine

2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine (PubChem CID 115841647) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
PubChem CID115841647
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cc(C)oc1C
InChIInChI=1S/C14H18ClNOS/c1-4-16-13(8-11-5-6-14(15)18-11)12-7-9(2)17-10(12)3/h5-7,13,16H,4,8H2,1-3H3
InChIKeyGZIUHXSXRYDKIF-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107102194
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61065242
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841674
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine (CID 115841647) is 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1cc(C)oc1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine?
The InChIKey is GZIUHXSXRYDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-4-16-13(8-11-5-6-14(15)18-11)12-7-9(2)17-10(12)3/h5-7,13,16H,4,8H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine?
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine is sourced from PubChem (CID 115841647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).