2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine

C13H18F4N2O — CID 105075003

IUPAC2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccncc1OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4N2O/c1-12(2,3)19-6-9-4-5-18-7-10(9)20-8-13(16,17)11(14)15/h4-5,7,11,19H,6,8H2,1-3H3
InChIKeySWUQESJQMDEXME-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.25
Rot. Bonds6

About 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105075003) has the molecular formula C13H18F4N2O and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105075003
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccncc1OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4N2O/c1-12(2,3)19-6-9-4-5-18-7-10(9)20-8-13(16,17)11(14)15/h4-5,7,11,19H,6,8H2,1-3H3
InChIKeySWUQESJQMDEXME-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075000
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
CID 62455254
N-[[3-(3,4-dimethylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075746
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 81250486
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075661
N-[[3-(3-bromo-5-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105075842
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81253288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine (CID 105075003) is 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1ccncc1OCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is SWUQESJQMDEXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-12(2,3)19-6-9-4-5-18-7-10(9)20-8-13(16,17)11(14)15/h4-5,7,11,19H,6,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 294.29 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105075003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).