1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine

C12H17F2NO2S — CID 105412463

IUPAC1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)CS(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-3-15-12(8-18(2,16)17)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyBYPDRGYIPUHUNK-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.53
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine

1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine (PubChem CID 105412463) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
PubChem CID105412463
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)CS(C)(=O)=O
InChIInChI=1S/C12H17F2NO2S/c1-3-15-12(8-18(2,16)17)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyBYPDRGYIPUHUNK-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
[1-(3-bromo-5-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105324883
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3,5-difluorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 105406250
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
1-(3,5-difluorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455261
1-(3,5-difluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105412474
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
1-(3-bromo-2,6-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 106274146
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine (CID 105412463) is 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine is CCNC(Cc1cc(F)cc(F)c1)CS(C)(=O)=O.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine?
The InChIKey is BYPDRGYIPUHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-3-15-12(8-18(2,16)17)6-9-4-10(13)7-11(14)5-9/h4-5,7,12,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine?
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 105412463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).