1-(5-bromothiophen-2-yl)butan-2-amine

C8H12BrNS — CID 43565983

IUPAC1-(5-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-2-6(10)5-7-3-4-8(9)11-7/h3-4,6H,2,5,10H2,1H3
InChIKeySBPZDSWLNFBWHX-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)butan-2-amine

1-(5-bromothiophen-2-yl)butan-2-amine (PubChem CID 43565983) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)butan-2-amine
PubChem CID43565983
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name1-(5-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)Cc1ccc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-2-6(10)5-7-3-4-8(9)11-7/h3-4,6H,2,5,10H2,1H3
InChIKeySBPZDSWLNFBWHX-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
1-(5-bromothiophen-2-yl)-3-methoxypentan-2-amine
CID 116715037
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
1-(5-bromothiophen-2-yl)-3-ethoxypentan-2-amine
CID 116716220
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105134659
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)butan-2-amine (CID 43565983) is 1-(5-bromothiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)butan-2-amine is CCC(N)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)butan-2-amine?
The InChIKey is SBPZDSWLNFBWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-2-6(10)5-7-3-4-8(9)11-7/h3-4,6H,2,5,10H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)butan-2-amine?
1-(5-bromothiophen-2-yl)butan-2-amine has a molecular weight of 234.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 43565983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).