2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline

C13H13Br2NS — CID 43683003

IUPAC2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(Br)cc1Br)c1cccs1
InChIInChI=1S/C13H13Br2NS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3
InChIKeySMIQFLXUGBZMPI-UHFFFAOYSA-N
MW375.13 g/mol
LogP5.84
Rot. Bonds4

About 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline

2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 43683003) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID43683003
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(Br)cc1Br)c1cccs1
InChIInChI=1S/C13H13Br2NS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3
InChIKeySMIQFLXUGBZMPI-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
4-bromo-N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 81287893
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline (CID 43683003) is 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1ccc(Br)cc1Br)c1cccs1.
What is the InChIKey of 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is SMIQFLXUGBZMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3.
What are the key properties of 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline?
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 375.13 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43683003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).