3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C13H24F3NO2 — CID 165490685

IUPAC3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCOCCN(CC)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-3-17(7-8-19-4-2)12-9-10(18)5-6-11(12)13(14,15)16/h10-12,18H,3-9H2,1-2H3
InChIKeyOBCKQNSNYYIQEX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds6

About 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490685) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490685
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCOCCN(CC)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-3-17(7-8-19-4-2)12-9-10(18)5-6-11(12)13(14,15)16/h10-12,18H,3-9H2,1-2H3
InChIKeyOBCKQNSNYYIQEX-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[6-Methyl-1-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]piperidin-3-yl]methanol
CID 109993090
[4-[Methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]methanol
CID 112277146
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490685) is 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCOCCN(CC)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OBCKQNSNYYIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-3-17(7-8-19-4-2)12-9-10(18)5-6-11(12)13(14,15)16/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).