1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine

C10H14FNO3S — CID 117370203

IUPAC1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1C(C)N
InChIInChI=1S/C10H14FNO3S/c1-6(12)7-4-8(11)10(16(3,13)14)5-9(7)15-2/h4-6H,12H2,1-3H3
InChIKeyGTPBSZFRJPBEOX-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.26
Rot. Bonds3

About 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine

1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine (PubChem CID 117370203) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
PubChem CID117370203
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1C(C)N
InChIInChI=1S/C10H14FNO3S/c1-6(12)7-4-8(11)10(16(3,13)14)5-9(7)15-2/h4-6H,12H2,1-3H3
InChIKeyGTPBSZFRJPBEOX-UHFFFAOYSA-N
XLogP1.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
amino-(2,5-dimethoxy-4-methylsulfonylphenyl)methanol
CID 116939710
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)ethanamine
CID 117385246
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-2-methylpropan-1-ol
CID 117442386
3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117461612
2-(2,5-dimethoxy-4-methylsulfonylphenyl)propanenitrile
CID 116835790
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
CID 69223080
1-(3-fluoro-4-methylsulfonylphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 166237203
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
CID 124640418

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine (CID 117370203) is 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine is COc1cc(S(C)(=O)=O)c(F)cc1C(C)N.
What is the InChIKey of 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
The InChIKey is GTPBSZFRJPBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-6(12)7-4-8(11)10(16(3,13)14)5-9(7)15-2/h4-6H,12H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine?
1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine has a molecular weight of 247.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117370203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).