1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

C13H20FNO2 — CID 107686628

IUPAC1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(CNC)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-13(2,16)9-17-12-6-5-10(8-15-3)7-11(12)14/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyHBWKUGSFPIBNJO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.08
Rot. Bonds6

About 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol

1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 107686628) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID107686628
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1ccc(CNC)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-13(2,16)9-17-12-6-5-10(8-15-3)7-11(12)14/h5-7,15-16H,4,8-9H2,1-3H3
InChIKeyHBWKUGSFPIBNJO-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-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686703
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
3-[[4-(methylaminomethyl)-2-(trifluoromethyl)phenoxy]methyl]pentan-3-ol
CID 114492086
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
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
CID 107686561
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
3-[[4-(aminomethyl)-2-fluorophenoxy]methyl]pentan-3-ol
CID 107686395
1-[2-chloro-4-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 114491891

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol (CID 107686628) is 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is CCC(C)(O)COc1ccc(CNC)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is HBWKUGSFPIBNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-13(2,16)9-17-12-6-5-10(8-15-3)7-11(12)14/h5-7,15-16H,4,8-9H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol?
1-[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 1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 107686628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).