3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO2 — CID 165490694

IUPAC3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOCCCN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-16(6-3-7-18-2)11-8-9(17)4-5-10(11)12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyXIQHXKKQLKSDNN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds5

About 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490694) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490694
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOCCCN(C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-16(6-3-7-18-2)11-8-9(17)4-5-10(11)12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyXIQHXKKQLKSDNN-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
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

[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-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
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-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490694) is 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is COCCCN(C)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XIQHXKKQLKSDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-16(6-3-7-18-2)11-8-9(17)4-5-10(11)12(13,14)15/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).