2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

C16H19BrFNS — CID 115843203

IUPAC2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(CC)s1
InChIInChI=1S/C16H19BrFNS/c1-3-13-7-8-16(20-13)15(19-4-2)9-11-5-6-12(18)10-14(11)17/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyLGLPUWQXLWKTFY-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 115843203) has the molecular formula C16H19BrFNS and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID115843203
Molecular FormulaC16H19BrFNS
Molecular Weight356.30 g/mol
Exact Mass355.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1ccc(CC)s1
InChIInChI=1S/C16H19BrFNS/c1-3-13-7-8-16(20-13)15(19-4-2)9-11-5-6-12(18)10-14(11)17/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyLGLPUWQXLWKTFY-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051139
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115843084
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 102867017
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115818040

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (CID 115843203) is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1ccc(F)cc1Br)c1ccc(CC)s1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is LGLPUWQXLWKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNS/c1-3-13-7-8-16(20-13)15(19-4-2)9-11-5-6-12(18)10-14(11)17/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 356.30 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115843203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).