2-(2,5-dibromothiophen-3-yl)-N-methylethanamine

C7H9Br2NS — CID 139824397

IUPAC2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)sc1Br
InChIInChI=1S/C7H9Br2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3
InChIKeyRVSLSNHPLNOPQY-UHFFFAOYSA-N
MW299.03 g/mol
LogP3.04
Rot. Bonds3

About 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine

2-(2,5-dibromothiophen-3-yl)-N-methylethanamine (PubChem CID 139824397) has the molecular formula C7H9Br2NS and a molecular weight of 299.03 g/mol. Its IUPAC name is 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
PubChem CID139824397
Molecular FormulaC7H9Br2NS
Molecular Weight299.03 g/mol
Exact Mass296.88
IUPAC Name2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)sc1Br
InChIInChI=1S/C7H9Br2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3
InChIKeyRVSLSNHPLNOPQY-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.03
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-3-ethylthiophene
CID 14896125
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
2,5-dibromo-3-(3,4-dibromohexyl)thiophene
CID 141391851
2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene
CID 162368553
N-[(2,5-dibromothiophen-3-yl)methyl]propan-2-amine
CID 107961478
6-(2,5-dibromothiophen-3-yl)hexan-1-ol
CID 86013367
2,5-dibromo-3-dec-3-ynylthiophene
CID 67460155
6-(2,5-dibromothiophen-3-yl)hexanoic acid
CID 43446944
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine (CID 139824397) is 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine is CNCCc1cc(Br)sc1Br.
What is the InChIKey of 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine?
The InChIKey is RVSLSNHPLNOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2NS/c1-10-3-2-5-4-6(8)11-7(5)9/h4,10H,2-3H2,1H3.
What are the key properties of 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine?
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine has a molecular weight of 299.03 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 139824397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).