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

C11H15F3N2O — CID 62584199

IUPAC2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(OC(C)CNCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(6-16-8)17-9(2)5-15-7-11(12,13)14/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyOJOGGTWHZHXXDM-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.31
Rot. Bonds5

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

2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62584199) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62584199
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(OC(C)CNCC(F)(F)F)cn1
InChIInChI=1S/C11H15F3N2O/c1-8-3-4-10(6-16-8)17-9(2)5-15-7-11(12,13)14/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyOJOGGTWHZHXXDM-UHFFFAOYSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)oxy]propan-1-amine
CID 134406627
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104822357
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62565222
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63517705
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410
2-methyl-N-[2-[(6-methyl-3-pyridinyl)oxy]-2-phenylethyl]propan-2-amine
CID 62442215

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62584199) is 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1ccc(OC(C)CNCC(F)(F)F)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OJOGGTWHZHXXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-3-4-10(6-16-8)17-9(2)5-15-7-11(12,13)14/h3-4,6,9,15H,5,7H2,1-2H3.
What are the key properties of 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 248.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62584199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).