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

C16H16BrCl2NS — CID 66145628

IUPAC1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16BrCl2NS/c1-20-13(8-11-6-7-12(18)9-15(11)19)10-21-16-5-3-2-4-14(16)17/h2-7,9,13,20H,8,10H2,1H3
InChIKeyYRGCTFQXIVAHEX-UHFFFAOYSA-N
MW405.19 g/mol
LogP5.68
Rot. Bonds6

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

1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 66145628) has the molecular formula C16H16BrCl2NS and a molecular weight of 405.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID66145628
Molecular FormulaC16H16BrCl2NS
Molecular Weight405.19 g/mol
Exact Mass402.96
IUPAC Name1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16BrCl2NS/c1-20-13(8-11-6-7-12(18)9-15(11)19)10-21-16-5-3-2-4-14(16)17/h2-7,9,13,20H,8,10H2,1H3
InChIKeyYRGCTFQXIVAHEX-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.19
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)sulfanyl-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 66145246
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
1-(4-bromophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144658
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
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2-bromophenyl)sulfanyl-3-(2,5-dichlorophenyl)propan-2-amine
CID 66144457

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine (CID 66145628) is 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is CNC(CSc1ccccc1Br)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is YRGCTFQXIVAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NS/c1-20-13(8-11-6-7-12(18)9-15(11)19)10-21-16-5-3-2-4-14(16)17/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine?
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 405.19 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 66145628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).