1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine

C12H17F2NO2S — CID 64558701

IUPAC1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-18(16,17)6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyYZVMSFOXPZRTPI-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.66
Rot. Bonds6

About 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine

1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine (PubChem CID 64558701) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
PubChem CID64558701
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC Name1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCS(=O)(=O)CCCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2S/c1-18(16,17)6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyYZVMSFOXPZRTPI-UHFFFAOYSA-N
XLogP1.66
TPSA60.16 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105
1-(3-chloro-2-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 82806041
1-(4-bromo-3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 115821022
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
1-(2,4-difluoro-5-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820220
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine (CID 64558701) is 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine is CS(=O)(=O)CCCC(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine?
The InChIKey is YZVMSFOXPZRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-18(16,17)6-2-3-11(15)7-9-4-5-10(13)8-12(9)14/h4-5,8,11H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine?
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 64558701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).