2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine

C11H16FNO3S — CID 117407280

IUPAC2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(OC)c(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-13-7-6-8-4-5-9(16-2)11(10(8)12)17(3,14)15/h4-5,13H,6-7H2,1-3H3
InChIKeyVXPGSSCOBYBBIT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds5

About 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine

2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine (PubChem CID 117407280) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
PubChem CID117407280
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine
SMILESCNCCc1ccc(OC)c(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-13-7-6-8-4-5-9(16-2)11(10(8)12)17(3,14)15/h4-5,13H,6-7H2,1-3H3
InChIKeyVXPGSSCOBYBBIT-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412248
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)butanoic acid
CID 117468920
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117468915
2-(2-fluoro-3-methylsulfonylphenyl)-N-methylethanamine
CID 117334335
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117463599
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)ethanol
CID 117373186
2-(6-fluoro-3-methoxy-2-methylphenyl)-N-methylethanamine
CID 84667682
1-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)cyclopropan-1-ol
CID 117404543
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
ethyl 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-oxoacetate
CID 117489496
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine (CID 117407280) is 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine is CNCCc1ccc(OC)c(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine?
The InChIKey is VXPGSSCOBYBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-13-7-6-8-4-5-9(16-2)11(10(8)12)17(3,14)15/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine?
2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-N-methylethanamine is sourced from PubChem (CID 117407280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).