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

C13H22F3NO2 — CID 165496326

IUPAC3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CCOCC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-17(9-4-6-19-7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyNTGQHQVSXVNREN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.19
Rot. Bonds2

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

3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496326) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496326
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CCOCC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO2/c1-17(9-4-6-19-7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyNTGQHQVSXVNREN-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
[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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496326) is 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CN(C1CCOCC1)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is NTGQHQVSXVNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-17(9-4-6-19-7-5-9)12-8-10(18)2-3-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3.
What are the key properties of 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).