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

C16H16Br2FNS — CID 66144079

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FNS/c1-20-13(9-11-8-12(19)6-7-14(11)17)10-21-16-5-3-2-4-15(16)18/h2-8,13,20H,9-10H2,1H3
InChIKeyLVEABTAIDAJISD-UHFFFAOYSA-N
MW433.18 g/mol
LogP5.27
Rot. Bonds6

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

1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66144079) has the molecular formula C16H16Br2FNS and a molecular weight of 433.18 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66144079
Molecular FormulaC16H16Br2FNS
Molecular Weight433.18 g/mol
Exact Mass430.94
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16Br2FNS/c1-20-13(9-11-8-12(19)6-7-14(11)17)10-21-16-5-3-2-4-15(16)18/h2-8,13,20H,9-10H2,1H3
InChIKeyLVEABTAIDAJISD-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.18
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
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-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
1-(2-bromo-5-fluorophenyl)-N,5-dimethylhexan-2-amine
CID 62603162
1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromo-5-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412893

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine (CID 66144079) is 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is LVEABTAIDAJISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FNS/c1-20-13(9-11-8-12(19)6-7-14(11)17)10-21-16-5-3-2-4-15(16)18/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 433.18 g/mol, XLogP of 5.27, 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-bromophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66144079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).