1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine

C12H17F3N2O — CID 79168592

IUPAC1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCCC(F)(F)F)c(CC(C)N)n1
InChIInChI=1S/C12H17F3N2O/c1-8(16)7-10-11(4-3-9(2)17-10)18-6-5-12(13,14)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyWZMHWUZLXFFYTR-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.61
Rot. Bonds5

About 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine

1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine (PubChem CID 79168592) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
PubChem CID79168592
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCCC(F)(F)F)c(CC(C)N)n1
InChIInChI=1S/C12H17F3N2O/c1-8(16)7-10-11(4-3-9(2)17-10)18-6-5-12(13,14)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyWZMHWUZLXFFYTR-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 106705649
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
1-[6-methyl-3-(2-piperidin-1-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79169001
ethyl 2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79169666
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
2-[[2-(2-aminopropyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylacetamide
CID 79169746
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine (CID 79168592) is 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine is Cc1ccc(OCCC(F)(F)F)c(CC(C)N)n1.
What is the InChIKey of 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is WZMHWUZLXFFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(16)7-10-11(4-3-9(2)17-10)18-6-5-12(13,14)15/h3-4,8H,5-7,16H2,1-2H3.
What are the key properties of 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine?
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79168592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).