2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C14H15BrFNS — CID 115843279

IUPAC2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1sccc1C
InChIInChI=1S/C14H15BrFNS/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyDPSOGMJDCNEAOE-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115843279) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115843279
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1sccc1C
InChIInChI=1S/C14H15BrFNS/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyDPSOGMJDCNEAOE-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
2-(2-bromo-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115843084
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(2-bromo-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115843760
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 115843279) is 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CNC(Cc1ccc(F)cc1Br)c1sccc1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is DPSOGMJDCNEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115843279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).