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

C13H16F3NO — CID 66359024

IUPAC2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,10-11H,7,17H2,1-2H3
InChIKeyMZNPPVZOSDMTGA-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.21
Rot. Bonds2

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

2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine (PubChem CID 66359024) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
PubChem CID66359024
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,10-11H,7,17H2,1-2H3
InChIKeyMZNPPVZOSDMTGA-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-[3-(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

Related Compounds

2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367223
2,2-diethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 66367022
1-cyclobutyloxy-3-(trifluoromethyl)benzene
CID 124519367
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
[4-methyl-2-[3-(trifluoromethyl)phenoxy]cyclohexyl]methanamine
CID 43294072
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
3-(3-fluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66368118
2-amino-1-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]ethanone
CID 67479763
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine (CID 66359024) is 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine is CC1(C)C(N)CC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The InChIKey is MZNPPVZOSDMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)10(17)7-11(12)18-9-5-3-4-8(6-9)13(14,15)16/h3-6,10-11H,7,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 66359024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).