1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C12H18BrNOS — CID 107167237

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c1-9(12-7-10(13)8-16-12)14-5-4-11-3-2-6-15-11/h7-9,11,14H,2-6H2,1H3
InChIKeyULTZOBUNMIANEL-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 107167237) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID107167237
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCO1)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c1-9(12-7-10(13)8-16-12)14-5-4-11-3-2-6-15-11/h7-9,11,14H,2-6H2,1H3
InChIKeyULTZOBUNMIANEL-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 107167829
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
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
2-(4-bromothiophen-2-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61347967
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 107167237) is 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is CC(NCCC1CCCO1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is ULTZOBUNMIANEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-9(12-7-10(13)8-16-12)14-5-4-11-3-2-6-15-11/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 304.25 g/mol, XLogP of 3.73, 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)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 107167237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).