1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine

C10H16BrNS — CID 61101878

IUPAC1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-5-8(12-4-2)9-6-7-10(11)13-9/h6-8,12H,3-5H2,1-2H3
InChIKeyKZFVLMLYRDCSSR-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.96
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine

1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine (PubChem CID 61101878) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
PubChem CID61101878
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-5-8(12-4-2)9-6-7-10(11)13-9/h6-8,12H,3-5H2,1-2H3
InChIKeyKZFVLMLYRDCSSR-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
2-bromo-5-(1-chlorobutyl)thiophene
CID 61085689
1-(5-bromothiophen-2-yl)hexylhydrazine
CID 105222257
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine (CID 61101878) is 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine?
The InChIKey is KZFVLMLYRDCSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-3-5-8(12-4-2)9-6-7-10(11)13-9/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine?
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 3.96, 5 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)-N-ethylbutan-1-amine is sourced from PubChem (CID 61101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).