N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine

C14H19NOS — CID 62091070

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(C(C)NC(C)c2ccsc2)c(C)o1
InChIInChI=1S/C14H19NOS/c1-9-7-14(12(4)16-9)11(3)15-10(2)13-5-6-17-8-13/h5-8,10-11,15H,1-4H3
InChIKeyYPOXFJIAKBUNFY-UHFFFAOYSA-N
MW249.38 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 62091070) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID62091070
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(C(C)NC(C)c2ccsc2)c(C)o1
InChIInChI=1S/C14H19NOS/c1-9-7-14(12(4)16-9)11(3)15-10(2)13-5-6-17-8-13/h5-8,10-11,15H,1-4H3
InChIKeyYPOXFJIAKBUNFY-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
5-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 107706398
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 107167357
1-(3-bromophenyl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 43673332
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373945
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 60944672
N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55033046
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine (CID 62091070) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine is Cc1cc(C(C)NC(C)c2ccsc2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is YPOXFJIAKBUNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-9-7-14(12(4)16-9)11(3)15-10(2)13-5-6-17-8-13/h5-8,10-11,15H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 249.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62091070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).