1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine

C12H15F2NO2S — CID 117440298

IUPAC1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C12H15F2NO2S/c1-7(15)12(5-6-12)10-8(13)3-4-9(11(10)14)18(2,16)17/h3-4,7H,5-6,15H2,1-2H3
InChIKeyFKAMKADCKTWJLA-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.75
Rot. Bonds3

About 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine

1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine (PubChem CID 117440298) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
PubChem CID117440298
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2c(F)ccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C12H15F2NO2S/c1-7(15)12(5-6-12)10-8(13)3-4-9(11(10)14)18(2,16)17/h3-4,7H,5-6,15H2,1-2H3
InChIKeyFKAMKADCKTWJLA-UHFFFAOYSA-N
XLogP1.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117468852
1-[1-(3-methyl-4-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117386799
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
1,3-difluoro-2-(1-isocyanatocyclopentyl)-4-methylsulfonylbenzene
CID 117485456
1,3-difluoro-2-(1-isocyanatocyclobutyl)-4-methylsulfonylbenzene
CID 117463412
1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-(6-bromo-2-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432883
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
1-[1-(6-methylsulfonyl-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117455503

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine (CID 117440298) is 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine is CC(N)C1(c2c(F)ccc(S(C)(=O)=O)c2F)CC1.
What is the InChIKey of 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine?
The InChIKey is FKAMKADCKTWJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-7(15)12(5-6-12)10-8(13)3-4-9(11(10)14)18(2,16)17/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine?
1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117440298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).