2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine

C11H16BrNOS — CID 115841332

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-3,7,9,11H,4-6,13H2,1H3
InChIKeyMBEAIEWPVVKAJE-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine (PubChem CID 115841332) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
PubChem CID115841332
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
SMILESCC1CCOC1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C11H16BrNOS/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-3,7,9,11H,4-6,13H2,1H3
InChIKeyMBEAIEWPVVKAJE-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115784678
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65332288
2-cyclohexyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115842269
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104998317
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
2-(5-bromothiophen-2-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79970216
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine (CID 115841332) is 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine is CC1CCOC1C(N)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
The InChIKey is MBEAIEWPVVKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7-4-5-14-11(7)9(13)6-8-2-3-10(12)15-8/h2-3,7,9,11H,4-6,13H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115841332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).