1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine

C12H11BrFNS — CID 105095905

IUPAC1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H11BrFNS/c13-12-6-9(7-16-12)11(15)5-8-2-1-3-10(14)4-8/h1-4,6-7,11H,5,15H2
InChIKeyBAQZKNOOHDRWCI-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.89
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine

1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine (PubChem CID 105095905) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
PubChem CID105095905
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H11BrFNS/c13-12-6-9(7-16-12)11(15)5-8-2-1-3-10(14)4-8/h1-4,6-7,11H,5,15H2
InChIKeyBAQZKNOOHDRWCI-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

1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)ethanamine
CID 105089162
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(5-bromothiophen-3-yl)-2-(4-iodophenyl)ethanamine
CID 105151941
2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 43150867

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine (CID 105095905) is 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is BAQZKNOOHDRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-12-6-9(7-16-12)11(15)5-8-2-1-3-10(14)4-8/h1-4,6-7,11H,5,15H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(3-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 1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 105095905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).