2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine

C10H13F3N2O — CID 62584388

IUPAC2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
SMILESCc1ccc(OCCNCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-8-2-3-9(6-15-8)16-5-4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyGBOJAYNEICQCCG-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.92
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine (PubChem CID 62584388) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
PubChem CID62584388
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
SMILESCc1ccc(OCCNCC(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-8-2-3-9(6-15-8)16-5-4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3
InChIKeyGBOJAYNEICQCCG-UHFFFAOYSA-N
XLogP1.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
2-[(6-methyl-3-pyridinyl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62584199
4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55093405
4-chloro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55092712
5-butoxy-2-methylpyridine
CID 13154052
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
2,2,2-trifluoro-N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]ethanamine
CID 102747534
5-ethoxy-2-methylpyridine
CID 573198
5-but-3-ynoxy-2-methylpyridine
CID 130668166
5-[1,1,1,3,3,3-hexafluoro-2-(4-propoxyphenyl)propan-2-yl]-2-methylpyridine
CID 88555993
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
potassium trifluoro-[(6-methyl-3-pyridinyl)oxymethyl]boranuide
CID 63704180

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine (CID 62584388) is 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine is Cc1ccc(OCCNCC(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
The InChIKey is GBOJAYNEICQCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-8-2-3-9(6-15-8)16-5-4-14-7-10(11,12)13/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 1.92, 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-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine is sourced from PubChem (CID 62584388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).