2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline

C13H13BrClNS — CID 81264228

IUPAC2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(Cl)cc1Br)c1cccs1
InChIInChI=1S/C13H13BrClNS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(15)8-10(12)14/h3-8,11,16H,2H2,1H3
InChIKeyOUGOWASWFZIPBR-UHFFFAOYSA-N
MW330.68 g/mol
LogP5.73
Rot. Bonds4

About 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline

2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 81264228) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID81264228
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1ccc(Cl)cc1Br)c1cccs1
InChIInChI=1S/C13H13BrClNS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(15)8-10(12)14/h3-8,11,16H,2H2,1H3
InChIKeyOUGOWASWFZIPBR-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
7-chloro-N-(1-thiophen-2-ylpropyl)quinolin-4-amine
CID 63540112
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
2-fluoro-N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)aniline
CID 63462752
4-chloro-3-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 43745768
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline (CID 81264228) is 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1ccc(Cl)cc1Br)c1cccs1.
What is the InChIKey of 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is OUGOWASWFZIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(15)8-10(12)14/h3-8,11,16H,2H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline?
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 330.68 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 81264228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).