1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

C12H18FNO3S — CID 112700351

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCCS(C)(=O)=O
InChIInChI=1S/C12H18FNO3S/c1-9(14-7-8-18(3,15)16)12-10(13)5-4-6-11(12)17-2/h4-6,9,14H,7-8H2,1-3H3
InChIKeyCJMFAYWMGBZFHV-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.53
Rot. Bonds6

About 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 112700351) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID112700351
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCCS(C)(=O)=O
InChIInChI=1S/C12H18FNO3S/c1-9(14-7-8-18(3,15)16)12-10(13)5-4-6-11(12)17-2/h4-6,9,14H,7-8H2,1-3H3
InChIKeyCJMFAYWMGBZFHV-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 112700351) is 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is COc1cccc(F)c1C(C)NCCS(C)(=O)=O.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is CJMFAYWMGBZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-9(14-7-8-18(3,15)16)12-10(13)5-4-6-11(12)17-2/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 275.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 112700351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).