2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine

C10H14FNO2S — CID 117334335

IUPAC2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
SMILESCNCCc1cccc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H14FNO2S/c1-12-7-6-8-4-3-5-9(10(8)11)15(2,13)14/h3-5,12H,6-7H2,1-2H3
InChIKeyWUTMUVYJMHZYBA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine

2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine (PubChem CID 117334335) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
PubChem CID117334335
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
SMILESCNCCc1cccc(S(C)(=O)=O)c1F
InChIInChI=1S/C10H14FNO2S/c1-12-7-6-8-4-3-5-9(10(8)11)15(2,13)14/h3-5,12H,6-7H2,1-2H3
InChIKeyWUTMUVYJMHZYBA-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-3-methylsulfonylphenyl)propan-1-amine
CID 117334339
2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
CID 117407280
N-methyl-2-(4-methyl-2-methylsulfonylphenyl)ethanamine
CID 117327514
2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
2-[2,3-bis(methylsulfanyl)phenyl]-N-methylethanamine
CID 117327527
N-methyl-2-[2-(oxetan-3-ylsulfonyl)phenyl]ethanamine
CID 117391546
(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
[2,3-bis(methylsulfonyl)phenyl]methanamine
CID 117412708
N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
CID 117327512
2-fluoro-1-[(2-methylsulfonylphenyl)methyl]-3-nitrobenzene
CID 177164518
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
1,2-diethyl-3-methylsulfonylbenzene
CID 19834656

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine (CID 117334335) is 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine is CNCCc1cccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine?
The InChIKey is WUTMUVYJMHZYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-12-7-6-8-4-3-5-9(10(8)11)15(2,13)14/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine?
2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine has a molecular weight of 231.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine is sourced from PubChem (CID 117334335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).