3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine

C12H17F3N2O — CID 66328310

IUPAC3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-18-10-7-9(5-6-17-10)12(13,14)15/h5-7H,3-4,8,16H2,1-2H3
InChIKeyFVUZPQUGODPADK-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.00
Rot. Bonds5

About 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine

3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine (PubChem CID 66328310) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
PubChem CID66328310
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-18-10-7-9(5-6-17-10)12(13,14)15/h5-7H,3-4,8,16H2,1-2H3
InChIKeyFVUZPQUGODPADK-UHFFFAOYSA-N
XLogP3.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
CID 64572339
3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333203
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
2-(1-ethylsulfonylazetidin-3-yl)oxy-4-(trifluoromethyl)pyridine
CID 122251618
[3,5-dimethyl-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 66328112
2-(2-amino-2-methylbutoxy)pyridine-4-carbonitrile
CID 64571714
2-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 115009349
N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 66330279
3-[(6-propan-2-ylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 64573844
3-[(6-ethoxy-2-methylpyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333935
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 154344368

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine?
The IUPAC name of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine (CID 66328310) is 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine is CCC(N)(CC)COc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine?
The InChIKey is FVUZPQUGODPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-11(16,4-2)8-18-10-7-9(5-6-17-10)12(13,14)15/h5-7H,3-4,8,16H2,1-2H3.
What are the key properties of 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine?
3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine has a molecular weight of 262.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)-2-pyridinyl]oxymethyl]pentan-3-amine is sourced from PubChem (CID 66328310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).