1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine

C13H20ClNOS — CID 114221939

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)C(C)CSC
InChIInChI=1S/C13H20ClNOS/c1-9(8-17-3)12(15)7-10-6-11(14)4-5-13(10)16-2/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyOASUKNXPHZWSLP-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.22
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine (PubChem CID 114221939) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
PubChem CID114221939
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)C(C)CSC
InChIInChI=1S/C13H20ClNOS/c1-9(8-17-3)12(15)7-10-6-11(14)4-5-13(10)16-2/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyOASUKNXPHZWSLP-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
CID 116720793
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-4-methylsulfanylbutan-2-ol
CID 65148808
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145992
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
1-(5-chloro-2-methoxyphenyl)-3-propylsulfanylpropan-2-ol
CID 65129834

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine (CID 114221939) is 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine is COc1ccc(Cl)cc1CC(N)C(C)CSC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine?
The InChIKey is OASUKNXPHZWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c1-9(8-17-3)12(15)7-10-6-11(14)4-5-13(10)16-2/h4-6,9,12H,7-8,15H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine has a molecular weight of 273.83 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 114221939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).