2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine

C9H11F3N2O — CID 105026191

IUPAC2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(c1cncc(OC)c1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-13-8(9(10,11)12)6-3-7(15-2)5-14-4-6/h3-5,8,13H,1-2H3
InChIKeyUSHHSZYSKNVQOK-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.91
Rot. Bonds3

About 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine

2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 105026191) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID105026191
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(c1cncc(OC)c1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-13-8(9(10,11)12)6-3-7(15-2)5-14-4-6/h3-5,8,13H,1-2H3
InChIKeyUSHHSZYSKNVQOK-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
CID 103312224
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
1-[4-(difluoromethoxy)phenyl]-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026047
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine (CID 105026191) is 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine is CNC(c1cncc(OC)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is USHHSZYSKNVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-13-8(9(10,11)12)6-3-7(15-2)5-14-4-6/h3-5,8,13H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine?
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 220.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105026191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).