2-(4-bromothiophen-3-yl)-2-methoxyethanamine

C7H10BrNOS — CID 126978563

IUPAC2-(4-bromothiophen-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cscc1Br
InChIInChI=1S/C7H10BrNOS/c1-10-7(2-9)5-3-11-4-6(5)8/h3-4,7H,2,9H2,1H3
InChIKeyGXTLSSDRKLXVRD-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-bromothiophen-3-yl)-2-methoxyethanamine

2-(4-bromothiophen-3-yl)-2-methoxyethanamine (PubChem CID 126978563) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-2-methoxyethanamine
PubChem CID126978563
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name2-(4-bromothiophen-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cscc1Br
InChIInChI=1S/C7H10BrNOS/c1-10-7(2-9)5-3-11-4-6(5)8/h3-4,7H,2,9H2,1H3
InChIKeyGXTLSSDRKLXVRD-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
CID 105246270
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
CID 102845248
[1-(4-bromothiophen-3-yl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274324
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
CID 79595197
1-(4-bromothiophen-3-yl)-2-propoxyethanamine
CID 79595871
1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546
1-(4-bromothiophen-3-yl)-N,2-dimethylbutan-1-amine
CID 79596424
2-(4-bromothiophen-3-yl)-2-(ethylamino)acetonitrile
CID 130524690
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-2-methoxyethanamine?
The IUPAC name of 2-(4-bromothiophen-3-yl)-2-methoxyethanamine (CID 126978563) is 2-(4-bromothiophen-3-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-2-methoxyethanamine is COC(CN)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-2-methoxyethanamine?
The InChIKey is GXTLSSDRKLXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-10-7(2-9)5-3-11-4-6(5)8/h3-4,7H,2,9H2,1H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-2-methoxyethanamine?
2-(4-bromothiophen-3-yl)-2-methoxyethanamine has a molecular weight of 236.13 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 126978563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).