2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine

C15H20F3NO — CID 66359569

IUPAC2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13H,3-4,9,19H2,1-2H3
InChIKeyBIZOQCHDBXTMAU-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.99
Rot. Bonds4

About 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine

2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine (PubChem CID 66359569) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
PubChem CID66359569
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13H,3-4,9,19H2,1-2H3
InChIKeyBIZOQCHDBXTMAU-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine (CID 66359569) is 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The InChIKey is BIZOQCHDBXTMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-14(4-2)12(19)9-13(14)20-11-8-6-5-7-10(11)15(16,17)18/h5-8,12-13H,3-4,9,19H2,1-2H3.
What are the key properties of 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 66359569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).