N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine

C11H16BrNOS — CID 43432082

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1csc(Br)c1)C1CCCO1
InChIInChI=1S/C11H16BrNOS/c1-8(10-3-2-4-14-10)13-6-9-5-11(12)15-7-9/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyBMRRBAKNFYNEOC-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.17
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43432082) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43432082
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(NCc1csc(Br)c1)C1CCCO1
InChIInChI=1S/C11H16BrNOS/c1-8(10-3-2-4-14-10)13-6-9-5-11(12)15-7-9/h5,7-8,10,13H,2-4,6H2,1H3
InChIKeyBMRRBAKNFYNEOC-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115709428
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43432082) is N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is CC(NCc1csc(Br)c1)C1CCCO1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is BMRRBAKNFYNEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8(10-3-2-4-14-10)13-6-9-5-11(12)15-7-9/h5,7-8,10,13H,2-4,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43432082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).