1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine

C15H17BrFNOS — CID 115829741

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1sccc1Br
InChIInChI=1S/C15H17BrFNOS/c1-3-18-13(15-11(16)6-7-20-15)9-10-4-5-14(19-2)12(17)8-10/h4-8,13,18H,3,9H2,1-2H3
InChIKeyYYEDBIPTPFSVHX-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.55
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine

1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 115829741) has the molecular formula C15H17BrFNOS and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID115829741
Molecular FormulaC15H17BrFNOS
Molecular Weight358.28 g/mol
Exact Mass357.02
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1sccc1Br
InChIInChI=1S/C15H17BrFNOS/c1-3-18-13(15-11(16)6-7-20-15)9-10-4-5-14(19-2)12(17)8-10/h4-8,13,18H,3,9H2,1-2H3
InChIKeyYYEDBIPTPFSVHX-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

1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
2-(5-bromo-2-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115817250
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105290517

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine (CID 115829741) is 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine is CCNC(Cc1ccc(OC)c(F)c1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is YYEDBIPTPFSVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNOS/c1-3-18-13(15-11(16)6-7-20-15)9-10-4-5-14(19-2)12(17)8-10/h4-8,13,18H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)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 1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115829741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).