1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

C15H23F2NO2S — CID 79725643

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(F)cc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H23F2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-8-10(2)12(16)9-13(11)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyFEVIRVSYZQZHKH-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine

1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 79725643) has the molecular formula C15H23F2NO2S and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID79725643
Molecular FormulaC15H23F2NO2S
Molecular Weight319.42 g/mol
Exact Mass319.14
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)c(F)cc1F)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H23F2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-8-10(2)12(16)9-13(11)17/h8-9,14,18H,6-7H2,1-5H3
InChIKeyFEVIRVSYZQZHKH-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 81045137
1-(2,5-dibromo-4-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 81473129
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 79724994
N-ethyl-1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115827881
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 102764212
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
1-(2,4-difluoro-5-methylphenyl)-N-propylprop-2-en-1-amine
CID 105000633
1-(3-ethoxyphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 105022167
1-(2,3-difluorophenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861858
2-methyl-2-methylsulfonyl-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105043401
1-chloro-2-(1-chloro-2-methyl-2-methylsulfonylpropyl)-5-fluoro-4-methylbenzene
CID 81050891
N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105038168

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine (CID 79725643) is 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1cc(C)c(F)cc1F)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is FEVIRVSYZQZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2S/c1-6-7-18-14(15(3,4)21(5,19)20)11-8-10(2)12(16)9-13(11)17/h8-9,14,18H,6-7H2,1-5H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine?
1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 319.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 79725643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).