2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

C13H16ClNOS — CID 104790134

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccoc1C
InChIInChI=1S/C13H16ClNOS/c1-3-15-12(11-6-7-16-9(11)2)8-10-4-5-13(14)17-10/h4-7,12,15H,3,8H2,1-2H3
InChIKeyFKCSPPLHMVGREF-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.20
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104790134) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104790134
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccoc1C
InChIInChI=1S/C13H16ClNOS/c1-3-15-12(11-6-7-16-9(11)2)8-10-4-5-13(14)17-10/h4-7,12,15H,3,8H2,1-2H3
InChIKeyFKCSPPLHMVGREF-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(2-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 61077645
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
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
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
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031624

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (CID 104790134) is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is CCNC(Cc1ccc(Cl)s1)c1ccoc1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is FKCSPPLHMVGREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-3-15-12(11-6-7-16-9(11)2)8-10-4-5-13(14)17-10/h4-7,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 269.80 g/mol, XLogP of 4.20, 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)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104790134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).