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

C16H20BrFN2S — CID 79472106

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C16H20BrFN2S/c1-11(8-13-4-3-7-21-13)20(2)16(10-19)14-6-5-12(17)9-15(14)18/h3-7,9,11,16H,8,10,19H2,1-2H3
InChIKeyFEUFAWCXMQHRHR-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.21
Rot. Bonds6

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

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 79472106) has the molecular formula C16H20BrFN2S and a molecular weight of 371.32 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID79472106
Molecular FormulaC16H20BrFN2S
Molecular Weight371.32 g/mol
Exact Mass370.05
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C16H20BrFN2S/c1-11(8-13-4-3-7-21-13)20(2)16(10-19)14-6-5-12(17)9-15(14)18/h3-7,9,11,16H,8,10,19H2,1-2H3
InChIKeyFEUFAWCXMQHRHR-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
CID 43272757
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
1-(4-bromo-2-fluorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 63694470
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (CID 79472106) is 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is CC(Cc1cccs1)N(C)C(CN)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is FEUFAWCXMQHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2S/c1-11(8-13-4-3-7-21-13)20(2)16(10-19)14-6-5-12(17)9-15(14)18/h3-7,9,11,16H,8,10,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 371.32 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 79472106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).