1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine

C16H17Cl2NOS — CID 79700594

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NOS/c1-19-14(10-21-16-6-4-3-5-13(16)18)11-7-8-12(17)15(9-11)20-2/h3-9,14,19H,10H2,1-2H3
InChIKeyUNMZTDQJVRETLX-UHFFFAOYSA-N
MW342.29 g/mol
LogP5.05
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine (PubChem CID 79700594) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
PubChem CID79700594
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C16H17Cl2NOS/c1-19-14(10-21-16-6-4-3-5-13(16)18)11-7-8-12(17)15(9-11)20-2/h3-9,14,19H,10H2,1-2H3
InChIKeyUNMZTDQJVRETLX-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 82792566
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 79700129
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965
1-(3-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627923
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 79697191
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine (CID 79700594) is 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccccc1Cl)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is UNMZTDQJVRETLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c1-19-14(10-21-16-6-4-3-5-13(16)18)11-7-8-12(17)15(9-11)20-2/h3-9,14,19H,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 342.29 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 79700594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).