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

C16H17Cl2NS — CID 66146432

IUPAC1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NS/c1-19-15(9-12-5-7-13(17)8-6-12)11-20-16-4-2-3-14(18)10-16/h2-8,10,15,19H,9,11H2,1H3
InChIKeyZDCQJIIQTVSZKH-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.92
Rot. Bonds6

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

1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66146432) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66146432
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NS/c1-19-15(9-12-5-7-13(17)8-6-12)11-20-16-4-2-3-14(18)10-16/h2-8,10,15,19H,9,11H2,1H3
InChIKeyZDCQJIIQTVSZKH-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932219
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176064
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467
1-(3-bromophenyl)sulfanyl-N-methyl-3-phenylpropan-2-amine
CID 66160792
1-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66073323

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine (CID 66146432) is 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1cccc(Cl)c1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is ZDCQJIIQTVSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-19-15(9-12-5-7-13(17)8-6-12)11-20-16-4-2-3-14(18)10-16/h2-8,10,15,19H,9,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 326.29 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66146432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).