1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C11H14F3NO2 — CID 43150604

IUPAC1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-15-6-9(16)7-17-10-4-2-8(3-5-10)11(12,13)14/h2-5,9,15-16H,6-7H2,1H3
InChIKeyQOFDCMFILIISMU-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.66
Rot. Bonds5

About 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 43150604) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID43150604
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCNCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-15-6-9(16)7-17-10-4-2-8(3-5-10)11(12,13)14/h2-5,9,15-16H,6-7H2,1H3
InChIKeyQOFDCMFILIISMU-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 43150604) is 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CNCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is QOFDCMFILIISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-15-6-9(16)7-17-10-4-2-8(3-5-10)11(12,13)14/h2-5,9,15-16H,6-7H2,1H3.
What are the key properties of 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 249.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 43150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).