2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine

C11H15F3N2O — CID 105026955

IUPAC2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
SMILESCCCOc1cncc(C(NC)C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-3-4-17-9-5-8(6-16-7-9)10(15-2)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3
InChIKeyDMTWYAHKXHNSOD-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.69
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine

2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine (PubChem CID 105026955) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
PubChem CID105026955
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
SMILESCCCOc1cncc(C(NC)C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-3-4-17-9-5-8(6-16-7-9)10(15-2)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3
InChIKeyDMTWYAHKXHNSOD-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
CID 116726587
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
4-methoxy-N-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-amine
CID 105175683
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine (CID 105026955) is 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine is CCCOc1cncc(C(NC)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine?
The InChIKey is DMTWYAHKXHNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-3-4-17-9-5-8(6-16-7-9)10(15-2)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine?
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine has a molecular weight of 248.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105026955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).