[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine

C15H15F2NO2S — CID 81328224

IUPAC[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCS(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c16-12-3-6-15(14(17)9-12)21(19)8-7-20-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2
InChIKeyABERPUZZVGEYRW-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.61
Rot. Bonds6

About [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine

[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine (PubChem CID 81328224) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
PubChem CID81328224
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
SMILESNCc1ccc(OCCS(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c16-12-3-6-15(14(17)9-12)21(19)8-7-20-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2
InChIKeyABERPUZZVGEYRW-UHFFFAOYSA-N
XLogP2.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,4-difluorophenyl)sulfinylpropoxy]aniline
CID 61287414
[4-[3-(3-fluorophenyl)sulfinylpropoxy]phenyl]methanamine
CID 81333382
4-[2-(2,4-difluorophenyl)sulfinylethyl]aniline
CID 61288023
[4-[2-(3-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81332770
[4-[(2,5-difluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328368
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[4-[2-(5-fluoro-2-methylphenoxy)ethoxy]phenyl]methanamine
CID 102980810
[4-[3-(2-bromo-4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43531037
[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
CID 81328051
[3-[2-(2-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81329098
[3-[2-(2-bromophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328254
2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
CID 81319743

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine (CID 81328224) is [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine is NCc1ccc(OCCS(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine?
The InChIKey is ABERPUZZVGEYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c16-12-3-6-15(14(17)9-12)21(19)8-7-20-13-4-1-11(10-18)2-5-13/h1-6,9H,7-8,10,18H2.
What are the key properties of [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine?
[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine has a molecular weight of 311.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine is sourced from PubChem (CID 81328224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).