2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine

C12H11BrFNS — CID 62608112

IUPAC2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C12H11BrFNS/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyUCXMRADURRGRTK-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine

2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine (PubChem CID 62608112) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
PubChem CID62608112
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C12H11BrFNS/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyUCXMRADURRGRTK-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanol
CID 62607396
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
CID 62716295
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
[1-(2-bromo-4-fluorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105296704
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine (CID 62608112) is 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine is NC(Cc1ccc(F)cc1Br)c1cccs1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine?
The InChIKey is UCXMRADURRGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine?
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine has a molecular weight of 300.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62608112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).