2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine

C15H15F2NS — CID 55016654

IUPAC2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)Sc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NS/c1-10-2-4-11(5-3-10)15(9-18)19-12-6-7-13(16)14(17)8-12/h2-8,15H,9,18H2,1H3
InChIKeyFXAIASHHNKDYHZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.07
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine

2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine (PubChem CID 55016654) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
PubChem CID55016654
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)Sc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NS/c1-10-2-4-11(5-3-10)15(9-18)19-12-6-7-13(16)14(17)8-12/h2-8,15H,9,18H2,1H3
InChIKeyFXAIASHHNKDYHZ-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

2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 55014937
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
2-(3,4-difluorophenyl)sulfanylpentan-3-amine
CID 64614302
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamine
CID 115478385
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine (CID 55016654) is 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)Sc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The InChIKey is FXAIASHHNKDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-2-4-11(5-3-10)15(9-18)19-12-6-7-13(16)14(17)8-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine 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 2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 55016654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).