3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine

C11H14FNO — CID 67812957

IUPAC3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine
SMILESCc1c(F)cccc1OC1CC(N)C1
InChIInChI=1S/C11H14FNO/c1-7-10(12)3-2-4-11(7)14-9-5-8(13)6-9/h2-4,8-9H,5-6,13H2,1H3
InChIKeyFSMNHIQADCAXSE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.00
Rot. Bonds2

About 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine

3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine (PubChem CID 67812957) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine
PubChem CID67812957
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine
SMILESCc1c(F)cccc1OC1CC(N)C1
InChIInChI=1S/C11H14FNO/c1-7-10(12)3-2-4-11(7)14-9-5-8(13)6-9/h2-4,8-9H,5-6,13H2,1H3
InChIKeyFSMNHIQADCAXSE-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine (CID 67812957) is 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine is Cc1c(F)cccc1OC1CC(N)C1.
What is the InChIKey of 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine?
The InChIKey is FSMNHIQADCAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-10(12)3-2-4-11(7)14-9-5-8(13)6-9/h2-4,8-9H,5-6,13H2,1H3.
What are the key properties of 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine?
3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 67812957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).