N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine

C12H16F4N2O — CID 112584809

IUPACN-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C12H16F4N2O/c1-3-9(17-2)10-5-4-8(6-18-10)19-7-12(15,16)11(13)14/h4-6,9,11,17H,3,7H2,1-2H3
InChIKeyWIVABYPWRKJPJF-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.03
Rot. Bonds7

About N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine

N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine (PubChem CID 112584809) has the molecular formula C12H16F4N2O and a molecular weight of 280.26 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
PubChem CID112584809
Molecular FormulaC12H16F4N2O
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC NameN-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C12H16F4N2O/c1-3-9(17-2)10-5-4-8(6-18-10)19-7-12(15,16)11(13)14/h4-6,9,11,17H,3,7H2,1-2H3
InChIKeyWIVABYPWRKJPJF-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]propan-1-amine
CID 112584711
1-[5-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]-N-methylpropan-1-amine
CID 103403032
N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
1-(5-cyclohexyloxy-2-pyridinyl)-N-methylpropan-1-amine
CID 112584679
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
2-(3-methylpentan-2-yl)-5-(2,2,2-trifluoroethoxy)pyridine
CID 91558909
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939916
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
CID 29004969
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
CID 115939817
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine (CID 112584809) is N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine is CCC(NC)c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is WIVABYPWRKJPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-3-9(17-2)10-5-4-8(6-18-10)19-7-12(15,16)11(13)14/h4-6,9,11,17H,3,7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine?
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 280.26 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 112584809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).