1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine

C15H15BrFNS — CID 43286543

IUPAC1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C15H15BrFNS/c1-10(18-2)15-12(17)7-5-9-14(15)19-13-8-4-3-6-11(13)16/h3-10,18H,1-2H3
InChIKeyBUXOUCYLEIORSH-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.02
Rot. Bonds4

About 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine (PubChem CID 43286543) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
PubChem CID43286543
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C15H15BrFNS/c1-10(18-2)15-12(17)7-5-9-14(15)19-13-8-4-3-6-11(13)16/h3-10,18H,1-2H3
InChIKeyBUXOUCYLEIORSH-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
CID 43286542
1-(2-fluoro-6-phenylsulfanylphenyl)-N-methylethanamine
CID 43286140
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286290
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360
1-(2-cyclohexylsulfanyl-6-fluorophenyl)-N-methylethanamine
CID 60887037
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine (CID 43286543) is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1Sc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
The InChIKey is BUXOUCYLEIORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c1-10(18-2)15-12(17)7-5-9-14(15)19-13-8-4-3-6-11(13)16/h3-10,18H,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine?
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine has a molecular weight of 340.26 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43286543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).