2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

C15H17BrFNOS — CID 115843885

IUPAC2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1sccc1OC
InChIInChI=1S/C15H17BrFNOS/c1-3-18-13(15-14(19-2)6-7-20-15)9-10-8-11(17)4-5-12(10)16/h4-8,13,18H,3,9H2,1-2H3
InChIKeySNETVUAUJDLFOA-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.55
Rot. Bonds6

About 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 115843885) has the molecular formula C15H17BrFNOS and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID115843885
Molecular FormulaC15H17BrFNOS
Molecular Weight358.28 g/mol
Exact Mass357.02
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Br)c1sccc1OC
InChIInChI=1S/C15H17BrFNOS/c1-3-18-13(15-14(19-2)6-7-20-15)9-10-8-11(17)4-5-12(10)16/h4-8,13,18H,3,9H2,1-2H3
InChIKeySNETVUAUJDLFOA-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
2-(2-bromo-5-fluorophenyl)-1-(3,5-dibromophenyl)-N-ethylethanamine
CID 107974490
2-(2-bromo-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 63418093
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951934
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
N-[(4-fluoro-2-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115852574

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (CID 115843885) is 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is CCNC(Cc1cc(F)ccc1Br)c1sccc1OC.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is SNETVUAUJDLFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNOS/c1-3-18-13(15-14(19-2)6-7-20-15)9-10-8-11(17)4-5-12(10)16/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine has a molecular weight of 358.28 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 115843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).