2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine

C8H12BrNOS — CID 102845248

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cc(Br)c(C)s1
InChIInChI=1S/C8H12BrNOS/c1-5-6(9)3-8(12-5)7(4-10)11-2/h3,7H,4,10H2,1-2H3
InChIKeyHCQVYUCLFBIBCK-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.47
Rot. Bonds3

About 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine

2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine (PubChem CID 102845248) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
PubChem CID102845248
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine
SMILESCOC(CN)c1cc(Br)c(C)s1
InChIInChI=1S/C8H12BrNOS/c1-5-6(9)3-8(12-5)7(4-10)11-2/h3,7H,4,10H2,1-2H3
InChIKeyHCQVYUCLFBIBCK-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-1-(4-bromo-5-methylthiophen-2-yl)ethoxy]propan-1-ol
CID 103377420
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
2-(4-bromo-5-methylthiophen-2-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531970
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyacetonitrile
CID 102845241
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940
2-(azocan-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102838255
1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 102838866
1-(4-bromo-5-methylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869560
1-(4-bromo-5-methylthiophen-2-yl)-3,3-dimethylbutan-1-amine
CID 102827056
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
CID 15185771
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 102838629
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine (CID 102845248) is 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine is COC(CN)c1cc(Br)c(C)s1.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine?
The InChIKey is HCQVYUCLFBIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-5-6(9)3-8(12-5)7(4-10)11-2/h3,7H,4,10H2,1-2H3.
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine?
2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine has a molecular weight of 250.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-2-methoxyethanamine is sourced from PubChem (CID 102845248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).