1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

C11H20F3NO2 — CID 106212542

IUPAC1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESCC(C)COCC(O)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-8(2)6-17-7-9(16)5-15-10(3-4-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyHIAZLAUDFGQXPR-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.70
Rot. Bonds7

About 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol

1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (PubChem CID 106212542) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
PubChem CID106212542
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
SMILESCC(C)COCC(O)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-8(2)6-17-7-9(16)5-15-10(3-4-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyHIAZLAUDFGQXPR-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylcyclohexyl)oxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212408
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
1-(2,6-dichlorophenoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212245
2-[2-hydroxy-3-[[1-(trifluoromethyl)cyclopropyl]amino]propoxy]benzonitrile
CID 106212597
1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 114095925
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 114147912
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-(2-methylpropoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79358740
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-(2-methylpropoxymethyl)-1-(trifluoromethyl)cyclopropane
CID 176677829
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol (CID 106212542) is 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is CC(C)COCC(O)CNC1(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
The InChIKey is HIAZLAUDFGQXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)6-17-7-9(16)5-15-10(3-4-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol?
1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol is sourced from PubChem (CID 106212542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).