1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol

C11H16FNO2 — CID 112608730

IUPAC1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1cccc(F)c1OCC(C)O
InChIInChI=1S/C11H16FNO2/c1-8(14)7-15-11-9(6-13-2)4-3-5-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyCIKPAAUNQXPGHK-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.30
Rot. Bonds5

About 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol

1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol (PubChem CID 112608730) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
PubChem CID112608730
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
SMILESCNCc1cccc(F)c1OCC(C)O
InChIInChI=1S/C11H16FNO2/c1-8(14)7-15-11-9(6-13-2)4-3-5-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyCIKPAAUNQXPGHK-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
1-[2-fluoro-6-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988874
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
1-[2-fluoro-6-[2-methyl-3-(methylphosphanylamino)propyl]phenoxy]propan-2-ol
CID 71120544
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol (CID 112608730) is 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol is CNCc1cccc(F)c1OCC(C)O.
What is the InChIKey of 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol?
The InChIKey is CIKPAAUNQXPGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(14)7-15-11-9(6-13-2)4-3-5-10(11)12/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol?
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol has a molecular weight of 213.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 112608730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).