4-bromo-N-ethyl-N-methylthiophen-2-amine

C7H10BrNS — CID 115259321

IUPAC4-bromo-N-ethyl-N-methylthiophen-2-amine
SMILESCCN(C)c1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-3-9(2)7-4-6(8)5-10-7/h4-5H,3H2,1-2H3
InChIKeyPDGSVFWKVDSBSW-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.97
Rot. Bonds2

About 4-bromo-N-ethyl-N-methylthiophen-2-amine

4-bromo-N-ethyl-N-methylthiophen-2-amine (PubChem CID 115259321) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methylthiophen-2-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methylthiophen-2-amine
PubChem CID115259321
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name4-bromo-N-ethyl-N-methylthiophen-2-amine
SMILESCCN(C)c1cc(Br)cs1
InChIInChI=1S/C7H10BrNS/c1-3-9(2)7-4-6(8)5-10-7/h4-5H,3H2,1-2H3
InChIKeyPDGSVFWKVDSBSW-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(4-bromothiophen-2-yl)-methylamino]propan-2-ol
CID 115121258
N'-(4-bromothiophen-2-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252422
4-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophen-2-amine
CID 115209892
methyl 3-[(4-bromothiophen-2-yl)-methylamino]propanoate
CID 115232316
4-[(4-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220647
2-amino-4-[(4-bromothiophen-2-yl)-methylamino]butanoic acid
CID 115241127
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
4-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 115221905
1-[[(4-bromothiophen-2-yl)-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246460
N-(4-bromothiophen-2-yl)-N-methyl-2-sulfanylacetamide
CID 115167064
1-N-(4-bromothiophen-2-yl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124770
4-bromo-N-methyl-N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255664

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methylthiophen-2-amine?
The IUPAC name of 4-bromo-N-ethyl-N-methylthiophen-2-amine (CID 115259321) is 4-bromo-N-ethyl-N-methylthiophen-2-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-methylthiophen-2-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-methylthiophen-2-amine is CCN(C)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-ethyl-N-methylthiophen-2-amine?
The InChIKey is PDGSVFWKVDSBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-3-9(2)7-4-6(8)5-10-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-methylthiophen-2-amine?
4-bromo-N-ethyl-N-methylthiophen-2-amine has a molecular weight of 220.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-methylthiophen-2-amine is sourced from PubChem (CID 115259321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).