1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine

C16H17Br2NS — CID 66144658

IUPAC1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NS/c1-19-14(10-12-6-8-13(17)9-7-12)11-20-16-5-3-2-4-15(16)18/h2-9,14,19H,10-11H2,1H3
InChIKeyPZJHZSIVEDRKAO-UHFFFAOYSA-N
MW415.19 g/mol
LogP5.13
Rot. Bonds6

About 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine

1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66144658) has the molecular formula C16H17Br2NS and a molecular weight of 415.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66144658
Molecular FormulaC16H17Br2NS
Molecular Weight415.19 g/mol
Exact Mass412.94
IUPAC Name1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(Br)cc1
InChIInChI=1S/C16H17Br2NS/c1-19-14(10-12-6-8-13(17)9-7-12)11-20-16-5-3-2-4-15(16)18/h2-9,14,19H,10-11H2,1H3
InChIKeyPZJHZSIVEDRKAO-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.19
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66143104
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
4-[3-(2-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-2-amine
CID 66144269
1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromophenyl)sulfanyl-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574564
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 66053086
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 104802758
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine (CID 66144658) is 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is PZJHZSIVEDRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NS/c1-19-14(10-12-6-8-13(17)9-7-12)11-20-16-5-3-2-4-15(16)18/h2-9,14,19H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine?
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 415.19 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66144658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).