2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C15H20F3NO — CID 103992849

IUPAC2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1cccc(CNCCC2CCCCO2)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-5-3-4-12(10-13)11-19-8-7-14-6-1-2-9-20-14/h3-5,10,14,19H,1-2,6-9,11H2
InChIKeyXWFRLKAAINRYDE-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.75
Rot. Bonds5

About 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 103992849) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID103992849
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1cccc(CNCCC2CCCCO2)c1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-5-3-4-12(10-13)11-19-8-7-14-6-1-2-9-20-14/h3-5,10,14,19H,1-2,6-9,11H2
InChIKeyXWFRLKAAINRYDE-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362843
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
(5S)-1-cyclopentyl-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 31074339
2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
CID 55159271
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[(2-bromo-3-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 114135964
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N'-methyl-4-(oxan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 109450145
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 103992849) is 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1cccc(CNCCC2CCCCO2)c1.
What is the InChIKey of 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is XWFRLKAAINRYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)13-5-3-4-12(10-13)11-19-8-7-14-6-1-2-9-20-14/h3-5,10,14,19H,1-2,6-9,11H2.
What are the key properties of 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103992849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).