1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

C15H15F2NS — CID 66096733

IUPAC1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-10-4-2-3-5-15(10)19-9-14(18)12-8-11(16)6-7-13(12)17/h2-8,14H,9,18H2,1H3
InChIKeyJBNFBJSZELZFAI-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.07
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine

1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 66096733) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
PubChem CID66096733
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCC(N)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-10-4-2-3-5-15(10)19-9-14(18)12-8-11(16)6-7-13(12)17/h2-8,14H,9,18H2,1H3
InChIKeyJBNFBJSZELZFAI-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
1-(3-bromo-2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 106645751
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872
1-(2,5-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096524
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
1-(2-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61228127
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine (CID 66096733) is 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SCC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is JBNFBJSZELZFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-4-2-3-5-15(10)19-9-14(18)12-8-11(16)6-7-13(12)17/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine?
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66096733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).