1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

C11H16BrNOS — CID 107167128

IUPAC1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c1-8(11-5-9(12)7-15-11)13-6-10-3-2-4-14-10/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyAQGPUWDXBICKQB-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 107167128) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID107167128
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C11H16BrNOS/c1-8(11-5-9(12)7-15-11)13-6-10-3-2-4-14-10/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyAQGPUWDXBICKQB-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61346986
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 107167128) is 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is AQGPUWDXBICKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8(11-5-9(12)7-15-11)13-6-10-3-2-4-14-10/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 3.34, 4 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)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107167128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).