1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine

C13H19Cl2NOS — CID 114228886

IUPAC1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cc(Cl)ccc1Cl)C(C)(C)OC
InChIInChI=1S/C13H19Cl2NOS/c1-13(2,17-4)12(16-3)8-18-11-7-9(14)5-6-10(11)15/h5-7,12,16H,8H2,1-4H3
InChIKeyKCEQQLTUINUIIM-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.10
Rot. Bonds6

About 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine

1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine (PubChem CID 114228886) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine
PubChem CID114228886
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine
SMILESCNC(CSc1cc(Cl)ccc1Cl)C(C)(C)OC
InChIInChI=1S/C13H19Cl2NOS/c1-13(2,17-4)12(16-3)8-18-11-7-9(14)5-6-10(11)15/h5-7,12,16H,8H2,1-4H3
InChIKeyKCEQQLTUINUIIM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
5-(2,5-dichlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64620648
methyl (3R)-4-(2,5-dichlorophenyl)sulfanyl-3-hydroxybutanoate
CID 111753440
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
methyl 3-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]-2-methylpropanoate
CID 66115350
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
1-(2,5-dichlorophenyl)sulfanyl-N-propylpropan-2-amine
CID 64621822
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 82922734
1-(2,5-dichlorophenyl)sulfanyl-2-methylbutan-2-ol
CID 114496192
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine (CID 114228886) is 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine is CNC(CSc1cc(Cl)ccc1Cl)C(C)(C)OC.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine?
The InChIKey is KCEQQLTUINUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NOS/c1-13(2,17-4)12(16-3)8-18-11-7-9(14)5-6-10(11)15/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine?
1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine has a molecular weight of 308.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfanyl-3-methoxy-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 114228886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).