2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline

C11H9BrFNS — CID 107633039

IUPAC2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(Br)c(NCc2cccs2)c1
InChIInChI=1S/C11H9BrFNS/c12-10-4-3-8(13)6-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyJLWSZRLRPVRFBI-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.26
Rot. Bonds3

About 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline

2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 107633039) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID107633039
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1ccc(Br)c(NCc2cccs2)c1
InChIInChI=1S/C11H9BrFNS/c12-10-4-3-8(13)6-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyJLWSZRLRPVRFBI-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2,4-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 102852659
4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 65435486
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
3-fluoro-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 60788587
1-(2-bromo-5-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056475
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62620100
2-bromo-N-(2,2-difluoroethyl)-5-fluoroaniline
CID 107635577
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-fluoroaniline
CID 107632697
2-bromo-N-[(E)-but-2-enyl]-5-fluoroaniline
CID 107899369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 107633039) is 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline is Fc1ccc(Br)c(NCc2cccs2)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is JLWSZRLRPVRFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c12-10-4-3-8(13)6-11(10)14-7-9-2-1-5-15-9/h1-6,14H,7H2.
What are the key properties of 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline?
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 286.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 107633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).