2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine

C13H18F4N2O — CID 105075000

IUPAC2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccncc1OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4N2O/c1-9(2)5-19-6-10-3-4-18-7-11(10)20-8-13(16,17)12(14)15/h3-4,7,9,12,19H,5-6,8H2,1-2H3
InChIKeyIJVZNOPFHPVFAO-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105075000) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105075000
Molecular FormulaC13H18F4N2O
Molecular Weight294.29 g/mol
Exact Mass294.14
IUPAC Name2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccncc1OCC(F)(F)C(F)F
InChIInChI=1S/C13H18F4N2O/c1-9(2)5-19-6-10-3-4-18-7-11(10)20-8-13(16,17)12(14)15/h3-4,7,9,12,19H,5-6,8H2,1-2H3
InChIKeyIJVZNOPFHPVFAO-UHFFFAOYSA-N
XLogP3.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.11
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

2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075003
N-[[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106667621
2-methyl-N-[[3-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105074819
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107170646
N-[[3-(4-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075484
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
N-[[3-(5-bromo-2-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107285678
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine (CID 105075000) is 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1ccncc1OCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is IJVZNOPFHPVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O/c1-9(2)5-19-6-10-3-4-18-7-11(10)20-8-13(16,17)12(14)15/h3-4,7,9,12,19H,5-6,8H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 294.29 g/mol, XLogP of 3.11, 8 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-1-amine is sourced from PubChem (CID 105075000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).