2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine

C12H11BrFNS — CID 63084882

IUPAC2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C12H11BrFNS/c13-12-6-5-8(16-12)7-11(15)9-3-1-2-4-10(9)14/h1-6,11H,7,15H2
InChIKeyGZGKLJOLOIIJAK-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine (PubChem CID 63084882) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
PubChem CID63084882
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C12H11BrFNS/c13-12-6-5-8(16-12)7-11(15)9-3-1-2-4-10(9)14/h1-6,11H,7,15H2
InChIKeyGZGKLJOLOIIJAK-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-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
[1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105206828
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine (CID 63084882) is 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine is NC(Cc1ccc(Br)s1)c1ccccc1F.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine?
The InChIKey is GZGKLJOLOIIJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-12-6-5-8(16-12)7-11(15)9-3-1-2-4-10(9)14/h1-6,11H,7,15H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine 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-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 63084882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).