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

C12H18FNO2 — CID 107686561

IUPAC4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
SMILESCNCc1ccc(OCCC(C)O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-9(15)5-6-16-12-4-3-10(8-14-2)7-11(12)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyAQHVKGOMOZOPEA-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.69
Rot. Bonds6

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

4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol (PubChem CID 107686561) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
PubChem CID107686561
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol
SMILESCNCc1ccc(OCCC(C)O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-9(15)5-6-16-12-4-3-10(8-14-2)7-11(12)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyAQHVKGOMOZOPEA-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.69
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
1,1,1-trifluoro-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686792
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
1-[2-fluoro-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107686628
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol?
The IUPAC name of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol (CID 107686561) is 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol?
The canonical SMILES for 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol is CNCc1ccc(OCCC(C)O)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol?
The InChIKey is AQHVKGOMOZOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-9(15)5-6-16-12-4-3-10(8-14-2)7-11(12)13/h3-4,7,9,14-15H,5-6,8H2,1-2H3.
What are the key properties of 4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol?
4-[2-fluoro-4-(methylaminomethyl)phenoxy]butan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.69, 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]butan-2-ol is sourced from PubChem (CID 107686561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).