1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine

C11H13F3N2O — CID 163383616

IUPAC1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CC2)nc1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)17-10-4-3-9(16-7-10)6-15-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2
InChIKeyYCCOABXWADOKGF-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.48
Rot. Bonds5

About 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine

1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine (PubChem CID 163383616) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine
PubChem CID163383616
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CC2)nc1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)17-10-4-3-9(16-7-10)6-15-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2
InChIKeyYCCOABXWADOKGF-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine (CID 163383616) is 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine is FC(F)(F)Oc1ccc(CNCC2CC2)nc1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine?
The InChIKey is YCCOABXWADOKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)17-10-4-3-9(16-7-10)6-15-5-8-1-2-8/h3-4,7-8,15H,1-2,5-6H2.
What are the key properties of 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine?
1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine has a molecular weight of 246.23 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 163383616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).