1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine

C13H16BrNOS — CID 105139496

IUPAC1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1sccc1Br
InChIInChI=1S/C13H16BrNOS/c1-15-10(4-5-11-3-2-7-16-11)9-13-12(14)6-8-17-13/h2-3,6-8,10,15H,4-5,9H2,1H3
InChIKeyWTQPLRCPMFEDOS-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine

1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine (PubChem CID 105139496) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
PubChem CID105139496
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(CCc1ccco1)Cc1sccc1Br
InChIInChI=1S/C13H16BrNOS/c1-15-10(4-5-11-3-2-7-16-11)9-13-12(14)6-8-17-13/h2-3,6-8,10,15H,4-5,9H2,1H3
InChIKeyWTQPLRCPMFEDOS-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
4-(furan-2-yl)-N-methyl-1-naphthalen-1-ylbutan-2-amine
CID 61078586
1-(4-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61064838
1-(furan-2-yl)-N-methyl-6-methylsulfonylhexan-3-amine
CID 105113102
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(furan-2-yl)-N-methyloct-6-yn-3-amine
CID 105181452
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105150536
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
CID 114104279
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine (CID 105139496) is 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine is CNC(CCc1ccco1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine?
The InChIKey is WTQPLRCPMFEDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-15-10(4-5-11-3-2-7-16-11)9-13-12(14)6-8-17-13/h2-3,6-8,10,15H,4-5,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine?
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine has a molecular weight of 314.25 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 105139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).