2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

C15H20F3NO2 — CID 103917723

IUPAC2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCOC1CC(NCC(O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO2/c1-2-21-13-7-12(8-13)19-9-14(20)10-4-3-5-11(6-10)15(16,17)18/h3-6,12-14,19-20H,2,7-9H2,1H3
InChIKeyJSXVNSWYQONGLO-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 103917723) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID103917723
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCOC1CC(NCC(O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO2/c1-2-21-13-7-12(8-13)19-9-14(20)10-4-3-5-11(6-10)15(16,17)18/h3-6,12-14,19-20H,2,7-9H2,1H3
InChIKeyJSXVNSWYQONGLO-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxycyclobutyl)-3-(trifluoromethyl)aniline
CID 112572842
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358371
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
CID 111108610
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 61171276

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 103917723) is 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is CCOC1CC(NCC(O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is JSXVNSWYQONGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-21-13-7-12(8-13)19-9-14(20)10-4-3-5-11(6-10)15(16,17)18/h3-6,12-14,19-20H,2,7-9H2,1H3.
What are the key properties of 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 303.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 103917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).