1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine

C14H14Br2FNS — CID 106043231

IUPAC1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1ccc(F)cc1Br
InChIInChI=1S/C14H14Br2FNS/c1-9(12-4-2-10(17)8-13(12)15)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKYJVEBLNNAQWBJ-UHFFFAOYSA-N
MW407.15 g/mol
LogP5.31
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine

1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine (PubChem CID 106043231) has the molecular formula C14H14Br2FNS and a molecular weight of 407.15 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
PubChem CID106043231
Molecular FormulaC14H14Br2FNS
Molecular Weight407.15 g/mol
Exact Mass404.92
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Br)s1)c1ccc(F)cc1Br
InChIInChI=1S/C14H14Br2FNS/c1-9(12-4-2-10(17)8-13(12)15)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKYJVEBLNNAQWBJ-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

4-[2-[1-(2-bromo-4-fluorophenyl)ethylamino]ethyl]phenol
CID 103779130
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)ethanamine
CID 54900157
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
CID 104581933
1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259760
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[1-(2-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 103775462
1-(2-bromo-4-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103778176
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine (CID 106043231) is 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine is CC(NCCc1ccc(Br)s1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine?
The InChIKey is KYJVEBLNNAQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FNS/c1-9(12-4-2-10(17)8-13(12)15)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine?
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine 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 1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 106043231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).