1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine

C12H18BrNOS — CID 65164817

IUPAC1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-9-7-12(16-8-9)11(14)5-1-3-10-4-2-6-15-10/h7-8,10-11H,1-6,14H2
InChIKeyVLBIWHJVXYDDBV-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine

1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65164817) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID65164817
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-9-7-12(16-8-9)11(14)5-1-3-10-4-2-6-15-10/h7-8,10-11H,1-6,14H2
InChIKeyVLBIWHJVXYDDBV-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 115847784
1-(5-bromofuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993311
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
[1-(3,5-dibromophenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 114023446
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
4-(oxolan-2-yl)-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105156646
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine (CID 65164817) is 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine is NC(CCCC1CCCO1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is VLBIWHJVXYDDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-9-7-12(16-8-9)11(14)5-1-3-10-4-2-6-15-10/h7-8,10-11H,1-6,14H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 304.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65164817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).