2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine

C13H13BrFNS — CID 55094102

IUPAC2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)Cc1sccc1Br
InChIInChI=1S/C13H13BrFNS/c1-8-2-3-9(15)6-10(8)12(16)7-13-11(14)4-5-17-13/h2-6,12H,7,16H2,1H3
InChIKeyKGBJJPXUHWUALU-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 55094102) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID55094102
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)Cc1sccc1Br
InChIInChI=1S/C13H13BrFNS/c1-8-2-3-9(15)6-10(8)12(16)7-13-11(14)4-5-17-13/h2-6,12H,7,16H2,1H3
InChIKeyKGBJJPXUHWUALU-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine (CID 55094102) is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1C(N)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is KGBJJPXUHWUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-8-2-3-9(15)6-10(8)12(16)7-13-11(14)4-5-17-13/h2-6,12H,7,16H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 314.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 55094102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).