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

C13H16ClNOS — CID 115841690

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1coc(C)c1
InChIInChI=1S/C13H16ClNOS/c1-3-15-12(10-6-9(2)16-8-10)7-11-4-5-13(14)17-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyYQPASBHJWRMJPW-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.20
Rot. Bonds5

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

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 115841690) 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-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID115841690
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1coc(C)c1
InChIInChI=1S/C13H16ClNOS/c1-3-15-12(10-6-9(2)16-8-10)7-11-4-5-13(14)17-11/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyYQPASBHJWRMJPW-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)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115840534
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
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-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (CID 115841690) is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is CCNC(Cc1ccc(Cl)s1)c1coc(C)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is YQPASBHJWRMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-3-15-12(10-6-9(2)16-8-10)7-11-4-5-13(14)17-11/h4-6,8,12,15H,3,7H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-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-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 115841690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).