4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

C13H24F3NO2 — CID 102609647

IUPAC4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-12(18,6-7-19-2)9-17-11-5-3-4-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyKGIGTFZIQNYAHF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds6

About 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol

4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 102609647) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
PubChem CID102609647
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-12(18,6-7-19-2)9-17-11-5-3-4-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyKGIGTFZIQNYAHF-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

Analyze 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol with MolForge

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Related Compounds

4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]azepan-2-one
CID 106255434
trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol (CID 102609647) is 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is COCCC(C)(O)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is KGIGTFZIQNYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-12(18,6-7-19-2)9-17-11-5-3-4-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol?
4-methoxy-2-methyl-1-[[3-(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-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 102609647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).