2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine

C11H16FNO3S — CID 117407315

IUPAC2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
SMILESCOc1c(C(C)CN)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-7(6-13)8-4-5-9(17(3,14)15)10(12)11(8)16-2/h4-5,7H,6,13H2,1-3H3
InChIKeyTZYLKTQXOMROEQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds4

About 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine

2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine (PubChem CID 117407315) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
PubChem CID117407315
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
SMILESCOc1c(C(C)CN)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H16FNO3S/c1-7(6-13)8-4-5-9(17(3,14)15)10(12)11(8)16-2/h4-5,7H,6,13H2,1-3H3
InChIKeyTZYLKTQXOMROEQ-UHFFFAOYSA-N
XLogP1.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine 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

2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410038
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177
3-(2,3-difluoro-4-methylsulfonylphenyl)butanal
CID 117409970
2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine (CID 117407315) is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine is COc1c(C(C)CN)ccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine?
The InChIKey is TZYLKTQXOMROEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-7(6-13)8-4-5-9(17(3,14)15)10(12)11(8)16-2/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine?
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 117407315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).