1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine

C15H14Cl2FNS — CID 66072647

IUPAC1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNS/c1-19-15(13-8-10(16)2-7-14(13)17)9-20-12-5-3-11(18)4-6-12/h2-8,15,19H,9H2,1H3
InChIKeyRJWXENISDSZEOG-UHFFFAOYSA-N
MW330.26 g/mol
LogP5.19
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine

1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine (PubChem CID 66072647) has the molecular formula C15H14Cl2FNS and a molecular weight of 330.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
PubChem CID66072647
Molecular FormulaC15H14Cl2FNS
Molecular Weight330.26 g/mol
Exact Mass329.02
IUPAC Name1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2FNS/c1-19-15(13-8-10(16)2-7-14(13)17)9-20-12-5-3-11(18)4-6-12/h2-8,15,19H,9H2,1H3
InChIKeyRJWXENISDSZEOG-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine (CID 66072647) is 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine is CNC(CSc1ccc(F)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
The InChIKey is RJWXENISDSZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNS/c1-19-15(13-8-10(16)2-7-14(13)17)9-20-12-5-3-11(18)4-6-12/h2-8,15,19H,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine?
1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine has a molecular weight of 330.26 g/mol, XLogP of 5.19, 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-(4-fluorophenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 66072647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).