4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C14H15BrFNS — CID 65437692

IUPAC4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccc(Br)c(F)c1)c1cccs1
InChIInChI=1S/C14H15BrFNS/c1-9(2)14(13-4-3-7-18-13)17-10-5-6-11(15)12(16)8-10/h3-9,14,17H,1-2H3
InChIKeyGMZIZWBISZIJAN-UHFFFAOYSA-N
MW328.25 g/mol
LogP5.46
Rot. Bonds4

About 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 65437692) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID65437692
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCC(C)C(Nc1ccc(Br)c(F)c1)c1cccs1
InChIInChI=1S/C14H15BrFNS/c1-9(2)14(13-4-3-7-18-13)17-10-5-6-11(15)12(16)8-10/h3-9,14,17H,1-2H3
InChIKeyGMZIZWBISZIJAN-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348
4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
CID 65436900
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
CID 65435729
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]isoindole-1,3-dione
CID 43766284
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indol-5-amine
CID 43768653
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
3-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43762497
N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225947

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 65437692) is 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CC(C)C(Nc1ccc(Br)c(F)c1)c1cccs1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is GMZIZWBISZIJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-9(2)14(13-4-3-7-18-13)17-10-5-6-11(15)12(16)8-10/h3-9,14,17H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
4-bromo-3-fluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 328.25 g/mol, XLogP of 5.46, 4 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-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 65437692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).