2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine

C14H12ClF2NS — CID 66148494

IUPAC2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
SMILESNC(CSc1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7,14H,8,18H2
InChIKeyRQFZCNCUVFONFL-UHFFFAOYSA-N
MW299.77 g/mol
LogP4.41
Rot. Bonds4

About 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine

2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine (PubChem CID 66148494) has the molecular formula C14H12ClF2NS and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
PubChem CID66148494
Molecular FormulaC14H12ClF2NS
Molecular Weight299.77 g/mol
Exact Mass299.03
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
SMILESNC(CSc1cccc(Cl)c1)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7,14H,8,18H2
InChIKeyRQFZCNCUVFONFL-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
2-(3-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66148548
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine (CID 66148494) is 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine is NC(CSc1cccc(Cl)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine?
The InChIKey is RQFZCNCUVFONFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NS/c15-9-2-1-3-11(6-9)19-8-14(18)12-5-4-10(16)7-13(12)17/h1-7,14H,8,18H2.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine?
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine has a molecular weight of 299.77 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 66148494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).