2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine

C12H17F3N2O — CID 62291181

IUPAC2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-11(2,3)16-7-9-5-4-6-10(17-9)18-8-12(13,14)15/h4-6,16H,7-8H2,1-3H3
InChIKeyPHNXZNUXAHCXRZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine

2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62291181) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62291181
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C12H17F3N2O/c1-11(2,3)16-7-9-5-4-6-10(17-9)18-8-12(13,14)15/h4-6,16H,7-8H2,1-3H3
InChIKeyPHNXZNUXAHCXRZ-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
N-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 115498610
2-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridine
CID 62238846
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042
N-[(6-cyclopentyloxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289891
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine
CID 12760119
N-[[6-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114342313
N-[[6-(4-bromo-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63217068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62291181) is 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is PHNXZNUXAHCXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-11(2,3)16-7-9-5-4-6-10(17-9)18-8-12(13,14)15/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine?
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62291181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).