2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine

C10H17F3N2 — CID 114410880

IUPAC2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
SMILESCC1=CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9-2-5-15(6-3-9)7-4-14-8-10(11,12)13/h2,14H,3-8H2,1H3
InChIKeyRHLXCDXCCLYAAC-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine (PubChem CID 114410880) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
PubChem CID114410880
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
SMILESCC1=CCN(CCNCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9-2-5-15(6-3-9)7-4-14-8-10(11,12)13/h2,14H,3-8H2,1H3
InChIKeyRHLXCDXCCLYAAC-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine (CID 114410880) is 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine is CC1=CCN(CCNCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine?
The InChIKey is RHLXCDXCCLYAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9-2-5-15(6-3-9)7-4-14-8-10(11,12)13/h2,14H,3-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine is sourced from PubChem (CID 114410880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).