1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine

C14H19NOS — CID 43515385

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NCCc2ccco2)c(C)s1
InChIInChI=1S/C14H19NOS/c1-10-9-14(12(3)17-10)11(2)15-7-6-13-5-4-8-16-13/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyWYMNUVKICURKKI-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.85
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine (PubChem CID 43515385) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
PubChem CID43515385
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
SMILESCc1cc(C(C)NCCc2ccco2)c(C)s1
InChIInChI=1S/C14H19NOS/c1-10-9-14(12(3)17-10)11(2)15-7-6-13-5-4-8-16-13/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyWYMNUVKICURKKI-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(furan-2-yl)ethylamino]ethyl]-4-methylphenol
CID 43515341
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106042121
1-(2-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515502
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
N-[2-(furan-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 81301407
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]furan
CID 61098751
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716050
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43201220
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine (CID 43515385) is 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine is Cc1cc(C(C)NCCc2ccco2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
The InChIKey is WYMNUVKICURKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10-9-14(12(3)17-10)11(2)15-7-6-13-5-4-8-16-13/h4-5,8-9,11,15H,6-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43515385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).