1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

C17H19Cl2NS — CID 107308754

IUPAC1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NS/c1-12-6-8-15(9-7-12)21-11-14(20-2)10-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyQJKCESDRSCAYHS-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.22
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine

1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 107308754) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID107308754
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCNC(CSc1ccc(C)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NS/c1-12-6-8-15(9-7-12)21-11-14(20-2)10-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3
InChIKeyQJKCESDRSCAYHS-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
1-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308753
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
[1-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-[4-[(2,3-dichlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 107310191

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 107308754) is 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is CNC(CSc1ccc(C)cc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is QJKCESDRSCAYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-12-6-8-15(9-7-12)21-11-14(20-2)10-13-4-3-5-16(18)17(13)19/h3-9,14,20H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 340.32 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 107308754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).