1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine

C16H16BrF2NS — CID 66053668

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrF2NS/c1-20-13(9-11-8-12(18)6-7-14(11)17)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3
InChIKeyUTZKNPLNPQSFQO-UHFFFAOYSA-N
MW372.28 g/mol
LogP4.65
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine

1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66053668) has the molecular formula C16H16BrF2NS and a molecular weight of 372.28 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66053668
Molecular FormulaC16H16BrF2NS
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrF2NS/c1-20-13(9-11-8-12(18)6-7-14(11)17)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3
InChIKeyUTZKNPLNPQSFQO-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(5-bromothiophen-2-yl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053278
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62605376
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 66053668) is 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1F)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is UTZKNPLNPQSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NS/c1-20-13(9-11-8-12(18)6-7-14(11)17)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 372.28 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66053668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).