2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine

C17H19Cl2NS — CID 64620650

IUPAC2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1cc(Cl)ccc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C17H19Cl2NS/c1-11-4-5-12(2)14(8-11)16(20-3)10-21-17-9-13(18)6-7-15(17)19/h4-9,16,20H,10H2,1-3H3
InChIKeyXWOUVQYUZUZOQT-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.66
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine

2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine (PubChem CID 64620650) has the molecular formula C17H19Cl2NS and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
PubChem CID64620650
Molecular FormulaC17H19Cl2NS
Molecular Weight340.32 g/mol
Exact Mass339.06
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(CSc1cc(Cl)ccc1Cl)c1cc(C)ccc1C
InChIInChI=1S/C17H19Cl2NS/c1-11-4-5-12(2)14(8-11)16(20-3)10-21-17-9-13(18)6-7-15(17)19/h4-9,16,20H,10H2,1-3H3
InChIKeyXWOUVQYUZUZOQT-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
1-(2,5-dimethylphenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 64626032
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine (CID 64620650) is 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine is CNC(CSc1cc(Cl)ccc1Cl)c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is XWOUVQYUZUZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NS/c1-11-4-5-12(2)14(8-11)16(20-3)10-21-17-9-13(18)6-7-15(17)19/h4-9,16,20H,10H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine?
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 340.32 g/mol, XLogP of 5.66, 5 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-1-(2,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 64620650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).