N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

C13H18F3N3O — CID 102739699

IUPACN-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1nc(C(F)(F)F)ccc1CN)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-19(10-3-4-10)6-7-20-12-9(8-17)2-5-11(18-12)13(14,15)16/h2,5,10H,3-4,6-8,17H2,1H3
InChIKeyMGKAAFZBRDTQOP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102739699) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
PubChem CID102739699
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1nc(C(F)(F)F)ccc1CN)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-19(10-3-4-10)6-7-20-12-9(8-17)2-5-11(18-12)13(14,15)16/h2,5,10H,3-4,6-8,17H2,1H3
InChIKeyMGKAAFZBRDTQOP-UHFFFAOYSA-N
XLogP2.03
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (CID 102739699) is N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is CN(CCOc1nc(C(F)(F)F)ccc1CN)C1CC1.
What is the InChIKey of N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is MGKAAFZBRDTQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(10-3-4-10)6-7-20-12-9(8-17)2-5-11(18-12)13(14,15)16/h2,5,10H,3-4,6-8,17H2,1H3.
What are the key properties of N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 289.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102739699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).