2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine

C15H15F2NO2S — CID 64652626

IUPAC2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-20-12-5-2-10(3-6-12)14(18)9-21(19)15-7-4-11(16)8-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyNKFJATLYEDVSQU-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.78
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine

2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64652626) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64652626
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CS(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-20-12-5-2-10(3-6-12)14(18)9-21(19)15-7-4-11(16)8-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyNKFJATLYEDVSQU-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
2-(cyclopentylmethylsulfinyl)-1-(4-methoxyphenyl)ethanamine
CID 64657292
5-fluoro-2-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81184508
2-(2-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64657743
5-(2,4-difluorophenyl)sulfinylpentan-2-amine
CID 64652840
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
3-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81192156
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
4-[3-(2,4-difluorophenyl)sulfinylpropoxy]aniline
CID 61287414
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
[4-[2-(2,4-difluorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328224

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine (CID 64652626) is 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CS(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is NKFJATLYEDVSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-20-12-5-2-10(3-6-12)14(18)9-21(19)15-7-4-11(16)8-13(15)17/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine?
2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 311.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64652626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).