1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine

C13H17NOS — CID 61474918

IUPAC1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccsc2)o1
InChIInChI=1S/C13H17NOS/c1-10-3-4-13(15-10)11(2)14-7-5-12-6-8-16-9-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyWQGBLBKJCOFSLD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine

1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 61474918) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID61474918
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCc2ccsc2)o1
InChIInChI=1S/C13H17NOS/c1-10-3-4-13(15-10)11(2)14-7-5-12-6-8-16-9-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3
InChIKeyWQGBLBKJCOFSLD-UHFFFAOYSA-N
XLogP3.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
1-(5-methylfuran-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 103931631
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
6-[1-(2-thiophen-3-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 61475042
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 61474918) is 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine is Cc1ccc(C(C)NCCc2ccsc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is WQGBLBKJCOFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-3-4-13(15-10)11(2)14-7-5-12-6-8-16-9-12/h3-4,6,8-9,11,14H,5,7H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 61474918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).