4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

C13H20FNO2 — CID 107686703

IUPAC4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCNCc1ccc(OCCC(C)(C)O)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(2,16)6-7-17-12-5-4-10(9-15-3)8-11(12)14/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyIATNFGXOMWNYLS-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.08
Rot. Bonds6

About 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 107686703) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID107686703
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCNCc1ccc(OCCC(C)(C)O)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-13(2,16)6-7-17-12-5-4-10(9-15-3)8-11(12)14/h4-5,8,15-16H,6-7,9H2,1-3H3
InChIKeyIATNFGXOMWNYLS-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2-methylbutan-2-ol
CID 107688569
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
4-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107688351
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (CID 107686703) is 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is CNCc1ccc(OCCC(C)(C)O)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is IATNFGXOMWNYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(2,16)6-7-17-12-5-4-10(9-15-3)8-11(12)14/h4-5,8,15-16H,6-7,9H2,1-3H3.
What are the key properties of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 107686703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).