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

C13H20BrNOS — CID 107167829

IUPAC1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNOS/c1-10(13-8-11(14)9-17-13)15-6-5-12-4-2-3-7-16-12/h8-10,12,15H,2-7H2,1H3
InChIKeyAIEBZXINZRUGSC-UHFFFAOYSA-N
MW318.28 g/mol
LogP4.12
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (PubChem CID 107167829) has the molecular formula C13H20BrNOS and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
PubChem CID107167829
Molecular FormulaC13H20BrNOS
Molecular Weight318.28 g/mol
Exact Mass317.04
IUPAC Name1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1CCCCO1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNOS/c1-10(13-8-11(14)9-17-13)15-6-5-12-4-2-3-7-16-12/h8-10,12,15H,2-7H2,1H3
InChIKeyAIEBZXINZRUGSC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(4-bromothiophen-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 107167331
1-(4-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 107167128
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
1-(5-chlorothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983947
1-(1-benzothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 104579371
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine (CID 107167829) is 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine is CC(NCCC1CCCCO1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
The InChIKey is AIEBZXINZRUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNOS/c1-10(13-8-11(14)9-17-13)15-6-5-12-4-2-3-7-16-12/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine has a molecular weight of 318.28 g/mol, XLogP of 4.12, 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-(oxan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 107167829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).