N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine

C15H20F3NO2 — CID 62452190

IUPACN-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C15H20F3NO2/c1-2-19-9-11-7-8-12(21-11)10-20-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyIGPUUYYLSNMYQM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.24
Rot. Bonds6

About N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 62452190) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID62452190
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C15H20F3NO2/c1-2-19-9-11-7-8-12(21-11)10-20-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyIGPUUYYLSNMYQM-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
CID 62459432
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62458867
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
CID 102635361
N-[[5-(4,4,4-trifluorobutoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 82793017
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119646730

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine (CID 62452190) is N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(COc2ccccc2C(F)(F)F)O1.
What is the InChIKey of N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is IGPUUYYLSNMYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-19-9-11-7-8-12(21-11)10-20-14-6-4-3-5-13(14)15(16,17)18/h3-6,11-12,19H,2,7-10H2,1H3.
What are the key properties of N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 303.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).