2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine

C14H17BrN2S — CID 79476050

IUPAC2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
SMILESCC(Cc1cccs1)N(C)c1ccc(N)cc1Br
InChIInChI=1S/C14H17BrN2S/c1-10(8-12-4-3-7-18-12)17(2)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyKCEKPVAQHTXGPL-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.16
Rot. Bonds4

About 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine

2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine (PubChem CID 79476050) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
PubChem CID79476050
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
SMILESCC(Cc1cccs1)N(C)c1ccc(N)cc1Br
InChIInChI=1S/C14H17BrN2S/c1-10(8-12-4-3-7-18-12)17(2)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3
InChIKeyKCEKPVAQHTXGPL-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3,5-diamine
CID 104535249
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
2-bromo-3-fluoro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarbothioamide
CID 107535244
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzamide
CID 79476281
3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine (CID 79476050) is 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine is CC(Cc1cccs1)N(C)c1ccc(N)cc1Br.
What is the InChIKey of 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine?
The InChIKey is KCEKPVAQHTXGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10(8-12-4-3-7-18-12)17(2)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8,16H2,1-2H3.
What are the key properties of 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine?
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine has a molecular weight of 325.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 79476050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).