4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine

C13H15BrN2S — CID 65343285

IUPAC4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCCC(Nc1cc(Br)ccc1N)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-2-11(13-4-3-7-17-13)16-12-8-9(14)5-6-10(12)15/h3-8,11,16H,2,15H2,1H3
InChIKeyCWQMDFSFLGTXJL-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.66
Rot. Bonds4

About 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine

4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine (PubChem CID 65343285) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
PubChem CID65343285
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
SMILESCCC(Nc1cc(Br)ccc1N)c1cccs1
InChIInChI=1S/C13H15BrN2S/c1-2-11(13-4-3-7-17-13)16-12-8-9(14)5-6-10(12)15/h3-8,11,16H,2,15H2,1H3
InChIKeyCWQMDFSFLGTXJL-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
6-N-(1-thiophen-2-ylpropyl)-1H-indazole-5,6-diamine
CID 107489486
4-amino-N-methyl-3-(1-thiophen-2-ylbutylamino)benzamide
CID 63357349
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
2,3-difluoro-N-(1-thiophen-2-ylpropyl)aniline
CID 61076983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine (CID 65343285) is 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine is CCC(Nc1cc(Br)ccc1N)c1cccs1.
What is the InChIKey of 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
The InChIKey is CWQMDFSFLGTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-11(13-4-3-7-17-13)16-12-8-9(14)5-6-10(12)15/h3-8,11,16H,2,15H2,1H3.
What are the key properties of 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine?
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine has a molecular weight of 311.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 65343285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).