3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C10H13F3N2O2 — CID 114155563

IUPAC3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCOCC(CO)Nc1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-17-6-7(5-16)15-9-8(10(11,12)13)3-2-4-14-9/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyXIDBDGCNMDMDMI-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.52
Rot. Bonds5

About 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 114155563) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID114155563
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCOCC(CO)Nc1ncccc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-17-6-7(5-16)15-9-8(10(11,12)13)3-2-4-14-9/h2-4,7,16H,5-6H2,1H3,(H,14,15)
InChIKeyXIDBDGCNMDMDMI-UHFFFAOYSA-N
XLogP1.52
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 114155563) is 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is COCC(CO)Nc1ncccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is XIDBDGCNMDMDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-17-6-7(5-16)15-9-8(10(11,12)13)3-2-4-14-9/h2-4,7,16H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 250.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 114155563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).