1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine

C11H15Cl2NS — CID 65128210

IUPAC1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-3-15-7-11(14-2)9-6-8(12)4-5-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyZTLSQDMJPJBLOR-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.01
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine

1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine (PubChem CID 65128210) has the molecular formula C11H15Cl2NS and a molecular weight of 264.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
PubChem CID65128210
Molecular FormulaC11H15Cl2NS
Molecular Weight264.22 g/mol
Exact Mass263.03
IUPAC Name1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NS/c1-3-15-7-11(14-2)9-6-8(12)4-5-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyZTLSQDMJPJBLOR-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-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine (CID 65128210) is 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine is CCSCC(NC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine?
The InChIKey is ZTLSQDMJPJBLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NS/c1-3-15-7-11(14-2)9-6-8(12)4-5-10(9)13/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine?
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine 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-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine is sourced from PubChem (CID 65128210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).