2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline

C12H11BrFNS — CID 107599377

IUPAC2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
SMILESFc1cccc(Br)c1NCCc1cccs1
InChIInChI=1S/C12H11BrFNS/c13-10-4-1-5-11(14)12(10)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7H2
InChIKeyXXKWHQAHMSQCLS-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline

2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 107599377) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
PubChem CID107599377
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
SMILESFc1cccc(Br)c1NCCc1cccs1
InChIInChI=1S/C12H11BrFNS/c13-10-4-1-5-11(14)12(10)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7H2
InChIKeyXXKWHQAHMSQCLS-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 107597873
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
3-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 115125723
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
3-fluoro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 81498275
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
2-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline (CID 107599377) is 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline is Fc1cccc(Br)c1NCCc1cccs1.
What is the InChIKey of 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is XXKWHQAHMSQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c13-10-4-1-5-11(14)12(10)15-7-6-9-3-2-8-16-9/h1-5,8,15H,6-7H2.
What are the key properties of 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline?
2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 300.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 107599377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).