1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

C16H17Cl2NS — CID 66086804

IUPAC1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c1-11-4-3-5-13(8-11)20-10-16(19-2)12-6-7-14(17)15(18)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyLTPLQOFXFZTUTN-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.35
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine

1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 66086804) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
PubChem CID66086804
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NS/c1-11-4-3-5-13(8-11)20-10-16(19-2)12-6-7-14(17)15(18)9-12/h3-9,16,19H,10H2,1-2H3
InChIKeyLTPLQOFXFZTUTN-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
2-(4-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66057090
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
N-methyl-2-(3-methylphenyl)sulfanyl-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112744024
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine (CID 66086804) is 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is CNC(CSc1cccc(C)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is LTPLQOFXFZTUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-11-4-3-5-13(8-11)20-10-16(19-2)12-6-7-14(17)15(18)9-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine?
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 326.29 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).