2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine

C16H15BrFNS2 — CID 115841174

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H15BrFNS2/c1-2-19-13(9-12-5-6-16(17)20-12)15-7-10-3-4-11(18)8-14(10)21-15/h3-8,13,19H,2,9H2,1H3
InChIKeyFNHJCKGZKYUPIO-UHFFFAOYSA-N
MW384.34 g/mol
LogP5.76
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine (PubChem CID 115841174) has the molecular formula C16H15BrFNS2 and a molecular weight of 384.34 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
PubChem CID115841174
Molecular FormulaC16H15BrFNS2
Molecular Weight384.34 g/mol
Exact Mass382.98
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H15BrFNS2/c1-2-19-13(9-12-5-6-16(17)20-12)15-7-10-3-4-11(18)8-14(10)21-15/h3-8,13,19H,2,9H2,1H3
InChIKeyFNHJCKGZKYUPIO-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.34
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105139333
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
N-[(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 81114889
1-(5-bromothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 61063795
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115843203
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
1-(5-bromothiophen-2-yl)-N-ethyl-3-(4-fluorophenyl)sulfanylpropan-2-amine
CID 66066895
N-ethyl-1-(5-fluoro-1-benzothiophen-2-yl)-2-thiophen-3-ylethanamine
CID 105137624

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine (CID 115841174) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine is CCNC(Cc1ccc(Br)s1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is FNHJCKGZKYUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNS2/c1-2-19-13(9-12-5-6-16(17)20-12)15-7-10-3-4-11(18)8-14(10)21-15/h3-8,13,19H,2,9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 384.34 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).