1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine

C13H19Cl2NS — CID 65321733

IUPAC1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NS/c1-9(2)17-8-12(16-3)7-10-6-11(14)4-5-13(10)15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyKFVKVANFZGAZJO-UHFFFAOYSA-N
MW292.28 g/mol
LogP4.27
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine

1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65321733) has the molecular formula C13H19Cl2NS and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65321733
Molecular FormulaC13H19Cl2NS
Molecular Weight292.28 g/mol
Exact Mass291.06
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NS/c1-9(2)17-8-12(16-3)7-10-6-11(14)4-5-13(10)15/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyKFVKVANFZGAZJO-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine (CID 65321733) is 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine is CNC(CSC(C)C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is KFVKVANFZGAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NS/c1-9(2)17-8-12(16-3)7-10-6-11(14)4-5-13(10)15/h4-6,9,12,16H,7-8H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine?
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 292.28 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65321733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).