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

C13H19F3N2O2 — CID 106704703

IUPACN-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCOCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-3-6-17-7-11-12(5-4-10(2)18-11)20-9-19-8-13(14,15)16/h4-5,17H,3,6-9H2,1-2H3
InChIKeyMKVRCHXJPKHRMH-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.80
Rot. Bonds8

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

N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106704703) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106704703
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC NameN-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCOCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-3-6-17-7-11-12(5-4-10(2)18-11)20-9-19-8-13(14,15)16/h4-5,17H,3,6-9H2,1-2H3
InChIKeyMKVRCHXJPKHRMH-UHFFFAOYSA-N
XLogP2.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 106704703) is N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(C)ccc1OCOCC(F)(F)F.
What is the InChIKey of N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is MKVRCHXJPKHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-3-6-17-7-11-12(5-4-10(2)18-11)20-9-19-8-13(14,15)16/h4-5,17H,3,6-9H2,1-2H3.
What are the key properties of N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 292.30 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106704703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).