2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine

C15H20F3NO2 — CID 104676220

IUPAC2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(C(F)(F)F)c2)C1OCC
InChIInChI=1S/C15H20F3NO2/c1-3-19-12-9-13(14(12)20-4-2)21-11-7-5-6-10(8-11)15(16,17)18/h5-8,12-14,19H,3-4,9H2,1-2H3
InChIKeyWOJTWOBLOXHJLQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.24
Rot. Bonds6

About 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine

2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine (PubChem CID 104676220) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
PubChem CID104676220
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
SMILESCCNC1CC(Oc2cccc(C(F)(F)F)c2)C1OCC
InChIInChI=1S/C15H20F3NO2/c1-3-19-12-9-13(14(12)20-4-2)21-11-7-5-6-10(8-11)15(16,17)18/h5-8,12-14,19H,3-4,9H2,1-2H3
InChIKeyWOJTWOBLOXHJLQ-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676314
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
N-ethyl-3-(3-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943185
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
1-(3-bromo-2-methoxycyclobutyl)oxy-3-(trifluoromethyl)benzene
CID 104673925
3-[(5-bromo-3-pyridinyl)oxy]-2-ethoxy-N-ethylcyclobutan-1-amine
CID 113440038
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
CID 104676124
2-ethoxy-N-ethyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-amine
CID 102723554
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 113439942
3-(3,5-dimethylphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943234

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine (CID 104676220) is 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine is CCNC1CC(Oc2cccc(C(F)(F)F)c2)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
The InChIKey is WOJTWOBLOXHJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-3-19-12-9-13(14(12)20-4-2)21-11-7-5-6-10(8-11)15(16,17)18/h5-8,12-14,19H,3-4,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine?
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine is sourced from PubChem (CID 104676220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).