4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline

C11H9BrFNS — CID 65435486

IUPAC4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cc(NCc2cccs2)ccc1Br
InChIInChI=1S/C11H9BrFNS/c12-10-4-3-8(6-11(10)13)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyPYYUNDJUCXPEFE-UHFFFAOYSA-N
MW286.17 g/mol
LogP4.26
Rot. Bonds3

About 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline

4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 65435486) has the molecular formula C11H9BrFNS and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID65435486
Molecular FormulaC11H9BrFNS
Molecular Weight286.17 g/mol
Exact Mass284.96
IUPAC Name4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESFc1cc(NCc2cccs2)ccc1Br
InChIInChI=1S/C11H9BrFNS/c12-10-4-3-8(6-11(10)13)14-7-9-2-1-5-15-9/h1-6,14H,7H2
InChIKeyPYYUNDJUCXPEFE-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
2-fluoro-4-(thiophen-2-ylmethylamino)benzenecarbothioamide
CID 113295803
4-ethoxy-3-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 115587236
2-bromo-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107633039
4-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-fluoroaniline
CID 102836173
2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
CID 65435729
N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 39246443
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 65435486) is 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline is Fc1cc(NCc2cccs2)ccc1Br.
What is the InChIKey of 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is PYYUNDJUCXPEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNS/c12-10-4-3-8(6-11(10)13)14-7-9-2-1-5-15-9/h1-6,14H,7H2.
What are the key properties of 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline?
4-bromo-3-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 4-bromo-3-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 65435486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).