2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine

C13H18FNO — CID 103273733

IUPAC2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cccc(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-15-9-8-13(6-3-7-13)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyYAXWMEJJEJIYEJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine

2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 103273733) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine
PubChem CID103273733
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cccc(F)c2)CCC1
InChIInChI=1S/C13H18FNO/c1-15-9-8-13(6-3-7-13)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3
InChIKeyYAXWMEJJEJIYEJ-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine (CID 103273733) is 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine is CNCCC1(Oc2cccc(F)c2)CCC1.
What is the InChIKey of 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is YAXWMEJJEJIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-9-8-13(6-3-7-13)16-12-5-2-4-11(14)10-12/h2,4-5,10,15H,3,6-9H2,1H3.
What are the key properties of 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103273733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).