3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine

C11H14FNO2 — CID 91800957

IUPAC3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine
SMILESCOc1ccc(OC2CC(N)C2)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-7(13)5-9/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyGUTXQXFWPLYBEM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.70
Rot. Bonds3

About 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine

3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine (PubChem CID 91800957) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine
PubChem CID91800957
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine
SMILESCOc1ccc(OC2CC(N)C2)c(F)c1
InChIInChI=1S/C11H14FNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-7(13)5-9/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyGUTXQXFWPLYBEM-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine (CID 91800957) is 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine is COc1ccc(OC2CC(N)C2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine?
The InChIKey is GUTXQXFWPLYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-8-2-3-11(10(12)6-8)15-9-4-7(13)5-9/h2-3,6-7,9H,4-5,13H2,1H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine?
3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine has a molecular weight of 211.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 91800957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).