2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine

C14H14Br2FNS — CID 105131858

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1csc(Br)c1
InChIInChI=1S/C14H14Br2FNS/c1-2-18-13(10-7-14(16)19-8-10)6-9-5-11(15)3-4-12(9)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeySDMZKWASIOWYGQ-UHFFFAOYSA-N
MW407.15 g/mol
LogP5.31
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine

2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine (PubChem CID 105131858) has the molecular formula C14H14Br2FNS and a molecular weight of 407.15 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
PubChem CID105131858
Molecular FormulaC14H14Br2FNS
Molecular Weight407.15 g/mol
Exact Mass404.92
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1csc(Br)c1
InChIInChI=1S/C14H14Br2FNS/c1-2-18-13(10-7-14(16)19-8-10)6-9-5-11(15)3-4-12(9)17/h3-5,7-8,13,18H,2,6H2,1H3
InChIKeySDMZKWASIOWYGQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 62607697
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine (CID 105131858) is 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1F)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is SDMZKWASIOWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FNS/c1-2-18-13(10-7-14(16)19-8-10)6-9-5-11(15)3-4-12(9)17/h3-5,7-8,13,18H,2,6H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 407.15 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 105131858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).