1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol

C12H18FNO3 — CID 117359832

IUPAC1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(COC)cc(F)c1OC
InChIInChI=1S/C12H18FNO3/c1-14-6-11(15)9-4-8(7-16-2)5-10(13)12(9)17-3/h4-5,11,14-15H,6-7H2,1-3H3
InChIKeyJLSJXLVSVROTFI-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.23
Rot. Bonds6

About 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol

1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117359832) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
PubChem CID117359832
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(COC)cc(F)c1OC
InChIInChI=1S/C12H18FNO3/c1-14-6-11(15)9-4-8(7-16-2)5-10(13)12(9)17-3/h4-5,11,14-15H,6-7H2,1-3H3
InChIKeyJLSJXLVSVROTFI-UHFFFAOYSA-N
XLogP1.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol (CID 117359832) is 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(COC)cc(F)c1OC.
What is the InChIKey of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is JLSJXLVSVROTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-14-6-11(15)9-4-8(7-16-2)5-10(13)12(9)17-3/h4-5,11,14-15H,6-7H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol?
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 243.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117359832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).