3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine

C9H11F3N2O — CID 22175085

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESNCCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-2-3-8(14-6-7)15-5-1-4-13/h2-3,6H,1,4-5,13H2
InChIKeyISDQAJKEWPOWEQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.83
Rot. Bonds4

About 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine

3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 22175085) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
PubChem CID22175085
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESNCCCOc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7-2-3-8(14-6-7)15-5-1-4-13/h2-3,6H,1,4-5,13H2
InChIKeyISDQAJKEWPOWEQ-UHFFFAOYSA-N
XLogP1.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
CID 97179058
3-[2-chloro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409127
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 114323896
2-(2-fluoroethoxy)-5-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine
CID 58923251
3-ethyl-5-methyl-4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]phenol
CID 18504580
1-cyclopropyl-1-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 110031641
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine (CID 22175085) is 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine is NCCCOc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is ISDQAJKEWPOWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7-2-3-8(14-6-7)15-5-1-4-13/h2-3,6H,1,4-5,13H2.
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine?
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 220.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 22175085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).