2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine

C15H14ClF2NS — CID 107525556

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CSCc1ccccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c16-13-4-2-1-3-10(13)8-20-9-15(19)12-7-11(17)5-6-14(12)18/h1-7,15H,8-9,19H2
InChIKeyCQWZPMRJCUJOFT-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.55
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine

2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine (PubChem CID 107525556) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
PubChem CID107525556
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CSCc1ccccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NS/c16-13-4-2-1-3-10(13)8-20-9-15(19)12-7-11(17)5-6-14(12)18/h1-7,15H,8-9,19H2
InChIKeyCQWZPMRJCUJOFT-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
CID 103290995
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 103288661
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
CID 107524370
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
3-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylpropan-1-ol
CID 107525347
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
1-(2,5-difluorophenyl)-2-pentylsulfanylethanamine
CID 107763082
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine (CID 107525556) is 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine is NC(CSCc1ccccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is CQWZPMRJCUJOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c16-13-4-2-1-3-10(13)8-20-9-15(19)12-7-11(17)5-6-14(12)18/h1-7,15H,8-9,19H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine?
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 313.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).