2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

C17H19Cl2NS — CID 64619490

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CSc1cc(Cl)ccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19Cl2NS/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeySTUMDCJXJGITIV-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.74
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64619490) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64619490
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CSc1cc(Cl)ccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19Cl2NS/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeySTUMDCJXJGITIV-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

2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)sulfanyl-N-ethylethanamine
CID 107560401
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
2-(2-chlorophenyl)sulfanyl-N-ethyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832965

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64619490) is 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(CSc1cc(Cl)ccc1Cl)c1ccccc1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is STUMDCJXJGITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-3-20-16(14-7-5-4-6-12(14)2)11-21-17-10-13(18)8-9-15(17)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine 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 2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64619490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).