3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine

C15H20F3NO — CID 115903398

IUPAC3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3NO/c1-3-20-14-8-13(9-14)19-10(2)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13-14,19H,3,8-9H2,1-2H3
InChIKeyKSEGUPMNKFQREV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.92
Rot. Bonds5

About 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine

3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine (PubChem CID 115903398) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
PubChem CID115903398
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C15H20F3NO/c1-3-20-14-8-13(9-14)19-10(2)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13-14,19H,3,8-9H2,1-2H3
InChIKeyKSEGUPMNKFQREV-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
N-[1-[4-(trifluoromethyl)phenyl]ethyl]thian-3-amine
CID 62872906
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine (CID 115903398) is 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The InChIKey is KSEGUPMNKFQREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-20-14-8-13(9-14)19-10(2)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13-14,19H,3,8-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 115903398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).