3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine

C13H18FNO — CID 165144232

IUPAC3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCC(C)c1cc(OC2CC(N)C2)ccc1F
InChIInChI=1S/C13H18FNO/c1-8(2)12-7-10(3-4-13(12)14)16-11-5-9(15)6-11/h3-4,7-9,11H,5-6,15H2,1-2H3
InChIKeySDXAKAJXAYUZGM-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.82
Rot. Bonds3

About 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine

3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine (PubChem CID 165144232) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
PubChem CID165144232
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine
SMILESCC(C)c1cc(OC2CC(N)C2)ccc1F
InChIInChI=1S/C13H18FNO/c1-8(2)12-7-10(3-4-13(12)14)16-11-5-9(15)6-11/h3-4,7-9,11H,5-6,15H2,1-2H3
InChIKeySDXAKAJXAYUZGM-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine (CID 165144232) is 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine is CC(C)c1cc(OC2CC(N)C2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine?
The InChIKey is SDXAKAJXAYUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8(2)12-7-10(3-4-13(12)14)16-11-5-9(15)6-11/h3-4,7-9,11H,5-6,15H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine?
3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-propan-2-ylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 165144232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).