2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine

C8H13F3N2 — CID 159900327

IUPAC2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCC1=C(C(N)C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2/c1-5-4-13-3-2-6(5)7(12)8(9,10)11/h7,13H,2-4,12H2,1H3
InChIKeyNVWIKDQLYUQPDI-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.19
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine

2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine (PubChem CID 159900327) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
PubChem CID159900327
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine
SMILESCC1=C(C(N)C(F)(F)F)CCNC1
InChIInChI=1S/C8H13F3N2/c1-5-4-13-3-2-6(5)7(12)8(9,10)11/h7,13H,2-4,12H2,1H3
InChIKeyNVWIKDQLYUQPDI-UHFFFAOYSA-N
XLogP1.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-2-piperidin-4-ylideneethyl)propan-2-amine
CID 59342446
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
2-Ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine
CID 150561866
6-(Difluoromethyl)-4-methyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613360
6-(Difluoromethyl)-4-ethyl-5-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170613718
4-ethyl-3,3-difluoro-2,6-dihydro-1H-pyridine;molecular hydrogen
CID 177147433
Pyridine, 1,2,5,6-tetrahydro-2-methyl-4-(trifluoromethyl)-
CID 78357989
1-Fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 105428658
2,2-Difluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 105431838
N-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591736
N-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591739

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine (CID 159900327) is 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine is CC1=C(C(N)C(F)(F)F)CCNC1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
The InChIKey is NVWIKDQLYUQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-5-4-13-3-2-6(5)7(12)8(9,10)11/h7,13H,2-4,12H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine?
2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine has a molecular weight of 194.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanamine is sourced from PubChem (CID 159900327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).