4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C13H24F3NO2 — CID 106250429

IUPAC4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-12(18,7-8-19-2)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyHZZUUKIOVMFNNV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds6

About 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 106250429) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID106250429
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-12(18,7-8-19-2)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyHZZUUKIOVMFNNV-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 106250429) is 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is COCCC(C)(O)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is HZZUUKIOVMFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-12(18,7-8-19-2)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 106250429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).