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

C11H15Cl2NS — CID 105141888

IUPAC1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-10(6-7-15-2)8-4-3-5-9(12)11(8)13/h3-5,10,14H,6-7H2,1-2H3
InChIKeyOUZWUPAVMUQQNW-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.01
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 105141888) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID105141888
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCNC(CCSC)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NS/c1-14-10(6-7-15-2)8-4-3-5-9(12)11(8)13/h3-5,10,14H,6-7H2,1-2H3
InChIKeyOUZWUPAVMUQQNW-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2,3-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064418
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine (CID 105141888) is 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine is CNC(CCSC)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is OUZWUPAVMUQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-14-10(6-7-15-2)8-4-3-5-9(12)11(8)13/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine?
1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 264.22 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105141888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).