1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine

C16H23Cl2NS — CID 65321248

IUPAC1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NS/c1-19-14(11-20-15-5-3-2-4-6-15)10-12-9-13(17)7-8-16(12)18/h7-9,14-15,19H,2-6,10-11H2,1H3
InChIKeyPWESHLAAPLITFG-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.19
Rot. Bonds6

About 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine

1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine (PubChem CID 65321248) has the molecular formula C16H23Cl2NS and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
PubChem CID65321248
Molecular FormulaC16H23Cl2NS
Molecular Weight332.34 g/mol
Exact Mass331.09
IUPAC Name1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSC1CCCCC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl2NS/c1-19-14(11-20-15-5-3-2-4-6-15)10-12-9-13(17)7-8-16(12)18/h7-9,14-15,19H,2-6,10-11H2,1H3
InChIKeyPWESHLAAPLITFG-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-cyclohexylsulfanyl-3-(5-fluoro-2-methylphenyl)-N-methylpropan-2-amine
CID 105373963
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine (CID 65321248) is 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine is CNC(CSC1CCCCC1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
The InChIKey is PWESHLAAPLITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NS/c1-19-14(11-20-15-5-3-2-4-6-15)10-12-9-13(17)7-8-16(12)18/h7-9,14-15,19H,2-6,10-11H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine?
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine has a molecular weight of 332.34 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 65321248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).