1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine

C11H16FNO2S — CID 105016528

IUPAC1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCc1cc(F)cc(C(N)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H16FNO2S/c1-7-4-9(6-10(12)5-7)11(13)8(2)16(3,14)15/h4-6,8,11H,13H2,1-3H3
InChIKeyWPXCMNKACQRCLA-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.57
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine

1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 105016528) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
PubChem CID105016528
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine
SMILESCc1cc(F)cc(C(N)C(C)S(C)(=O)=O)c1
InChIInChI=1S/C11H16FNO2S/c1-7-4-9(6-10(12)5-7)11(13)8(2)16(3,14)15/h4-6,8,11H,13H2,1-3H3
InChIKeyWPXCMNKACQRCLA-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 113421976
1-(3-fluoro-5-methylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 105016325
2-methylsulfonyl-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 113421969
1-(2,4-dimethylphenyl)-2-methylsulfonylpropan-1-amine
CID 82360037
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
CID 102550992
[1-(3-fluoro-5-methylphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984862
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
3-amino-3-(3-fluoro-5-methylphenyl)propanamide
CID 55255925
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481
1-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 115346054

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine (CID 105016528) is 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine is Cc1cc(F)cc(C(N)C(C)S(C)(=O)=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is WPXCMNKACQRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-7-4-9(6-10(12)5-7)11(13)8(2)16(3,14)15/h4-6,8,11H,13H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine?
1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105016528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).