1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

C11H15Cl2NS — CID 62692778

IUPAC1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-8(7-15-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyOECLFJOZDOWKQG-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 62692778) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID62692778
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-8(7-15-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyOECLFJOZDOWKQG-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-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-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(3-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 66159819
1-(2,6-dichlorophenyl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 79574139
[1-(2-chloro-6-fluorophenyl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213730
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(2,6-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214865
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 62692778) is 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is OECLFJOZDOWKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-14-8(7-15-2)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 264.22 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 62692778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).