2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

C16H17BrFNS — CID 79703608

IUPAC2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17BrFNS/c1-11-6-12(8-14(18)7-11)16(19-2)10-20-15-5-3-4-13(17)9-15/h3-9,16,19H,10H2,1-2H3
InChIKeyWJIOGBLJNFBZLL-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.95
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine

2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 79703608) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID79703608
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1cc(C)cc(F)c1
InChIInChI=1S/C16H17BrFNS/c1-11-6-12(8-14(18)7-11)16(19-2)10-20-15-5-3-4-13(17)9-15/h3-9,16,19H,10H2,1-2H3
InChIKeyWJIOGBLJNFBZLL-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
2-(4-bromophenyl)sulfanyl-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 66056292
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 66055898
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine (CID 79703608) is 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is CNC(CSc1cccc(Br)c1)c1cc(C)cc(F)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is WJIOGBLJNFBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-11-6-12(8-14(18)7-11)16(19-2)10-20-15-5-3-4-13(17)9-15/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine?
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 354.29 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 79703608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).