2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine

C12H11BrFNOS — CID 65203482

IUPAC2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
SMILESNCC(Oc1ccc(Br)c(F)c1)c1ccsc1
InChIInChI=1S/C12H11BrFNOS/c13-10-2-1-9(5-11(10)14)16-12(6-15)8-3-4-17-7-8/h1-5,7,12H,6,15H2
InChIKeyXRVKINQHBJICBF-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine

2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine (PubChem CID 65203482) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
PubChem CID65203482
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
SMILESNCC(Oc1ccc(Br)c(F)c1)c1ccsc1
InChIInChI=1S/C12H11BrFNOS/c13-10-2-1-9(5-11(10)14)16-12(6-15)8-3-4-17-7-8/h1-5,7,12H,6,15H2
InChIKeyXRVKINQHBJICBF-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(2,5-difluorophenoxy)-2-thiophen-3-ylethanamine
CID 63268980
2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 65204033
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(4-bromo-3-methylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 83133250
2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
1-(4-chloro-3-fluorophenoxy)-1-thiophen-3-ylpropan-2-amine
CID 82716776

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine (CID 65203482) is 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine is NCC(Oc1ccc(Br)c(F)c1)c1ccsc1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine?
The InChIKey is XRVKINQHBJICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c13-10-2-1-9(5-11(10)14)16-12(6-15)8-3-4-17-7-8/h1-5,7,12H,6,15H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine?
2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine has a molecular weight of 316.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 65203482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).