2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine

C14H14Br2FNS — CID 115844430

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14Br2FNS/c1-8-5-13(19-14(8)16)12(18-2)6-9-3-4-10(15)7-11(9)17/h3-5,7,12,18H,6H2,1-2H3
InChIKeyIQYYYHCVZSTAMD-UHFFFAOYSA-N
MW407.15 g/mol
LogP5.22
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine

2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine (PubChem CID 115844430) has the molecular formula C14H14Br2FNS and a molecular weight of 407.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
PubChem CID115844430
Molecular FormulaC14H14Br2FNS
Molecular Weight407.15 g/mol
Exact Mass404.92
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14Br2FNS/c1-8-5-13(19-14(8)16)12(18-2)6-9-3-4-10(15)7-11(9)17/h3-5,7,12,18H,6H2,1-2H3
InChIKeyIQYYYHCVZSTAMD-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.15
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
CID 115788463
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 80531040
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine (CID 115844430) is 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1F)c1cc(C)c(Br)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine?
The InChIKey is IQYYYHCVZSTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FNS/c1-8-5-13(19-14(8)16)12(18-2)6-9-3-4-10(15)7-11(9)17/h3-5,7,12,18H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine?
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine has a molecular weight of 407.15 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115844430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).