1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C13H17NOS — CID 105146730

IUPAC1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccoc1
InChIInChI=1S/C13H17NOS/c1-14-13(11-7-8-15-10-11)6-2-4-12-5-3-9-16-12/h3,5,7-10,13-14H,2,4,6H2,1H3
InChIKeyBXLXHUVYYBOXBI-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.62
Rot. Bonds6

About 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105146730) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105146730
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccoc1
InChIInChI=1S/C13H17NOS/c1-14-13(11-7-8-15-10-11)6-2-4-12-5-3-9-16-12/h3,5,7-10,13-14H,2,4,6H2,1H3
InChIKeyBXLXHUVYYBOXBI-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(furan-3-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105305888
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
1-(3-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
CID 105148145
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105146730) is 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is BXLXHUVYYBOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14-13(11-7-8-15-10-11)6-2-4-12-5-3-9-16-12/h3,5,7-10,13-14H,2,4,6H2,1H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105146730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).