N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine

C14H18BrNS2 — CID 54962436

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C14H18BrNS2/c1-3-5-11(13-6-4-9-17-13)16-10(2)12-7-8-14(15)18-12/h4,6-11,16H,3,5H2,1-2H3
InChIKeyXYTUOZDSZCZMHV-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.76
Rot. Bonds6

About N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (PubChem CID 54962436) has the molecular formula C14H18BrNS2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
PubChem CID54962436
Molecular FormulaC14H18BrNS2
Molecular Weight344.34 g/mol
Exact Mass343.01
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C14H18BrNS2/c1-3-5-11(13-6-4-9-17-13)16-10(2)12-7-8-14(15)18-12/h4,6-11,16H,3,5H2,1-2H3
InChIKeyXYTUOZDSZCZMHV-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N-[1-(furan-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962630
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 82774195
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
N-(1-thiophen-2-ylbutyl)nonan-2-amine
CID 63456215
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine (CID 54962436) is N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine is CCCC(NC(C)c1ccc(Br)s1)c1cccs1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
The InChIKey is XYTUOZDSZCZMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNS2/c1-3-5-11(13-6-4-9-17-13)16-10(2)12-7-8-14(15)18-12/h4,6-11,16H,3,5H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine has a molecular weight of 344.34 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 54962436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).