1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine

C17H19Cl2NS — CID 107560401

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-3-20-16(13-9-8-12(2)15(19)10-13)11-21-17-7-5-4-6-14(17)18/h4-10,16,20H,3,11H2,1-2H3
InChIKeyIRZLHMFUMJBJQX-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.74
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine

1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine (PubChem CID 107560401) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
PubChem CID107560401
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
SMILESCCNC(CSc1ccccc1Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H19Cl2NS/c1-3-20-16(13-9-8-12(2)15(19)10-13)11-21-17-7-5-4-6-14(17)18/h4-10,16,20H,3,11H2,1-2H3
InChIKeyIRZLHMFUMJBJQX-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine (CID 107560401) is 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine is CCNC(CSc1ccccc1Cl)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine?
The InChIKey is IRZLHMFUMJBJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-3-20-16(13-9-8-12(2)15(19)10-13)11-21-17-7-5-4-6-14(17)18/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine?
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine has a molecular weight of 340.32 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine is sourced from PubChem (CID 107560401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).