1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

C12H18FNO3S — CID 82994028

IUPAC1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1cc(C(C)NCCS(C)(=O)=O)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-9(14-6-7-18(3,15)16)10-4-5-11(13)12(8-10)17-2/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyHRNPZUVNBVBODN-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.53
Rot. Bonds6

About 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine

1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 82994028) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID82994028
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCOc1cc(C(C)NCCS(C)(=O)=O)ccc1F
InChIInChI=1S/C12H18FNO3S/c1-9(14-6-7-18(3,15)16)10-4-5-11(13)12(8-10)17-2/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyHRNPZUVNBVBODN-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

3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103881310
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 115848347
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 112700351
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-N',N'-dimethylbutane-1,4-diamine
CID 82994195
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 82994028) is 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is COc1cc(C(C)NCCS(C)(=O)=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is HRNPZUVNBVBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-9(14-6-7-18(3,15)16)10-4-5-11(13)12(8-10)17-2/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine?
1-(4-fluoro-3-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-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 82994028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).