N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

C16H24FNO2 — CID 62454144

IUPACN-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COc2ccc(F)cc2)O1
InChIInChI=1S/C16H24FNO2/c1-16(2,3)18-10-14-8-9-15(20-14)11-19-13-6-4-12(17)5-7-13/h4-7,14-15,18H,8-11H2,1-3H3
InChIKeyYQBQTJPSKLUMHI-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.14
Rot. Bonds5

About N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62454144) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62454144
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC(COc2ccc(F)cc2)O1
InChIInChI=1S/C16H24FNO2/c1-16(2,3)18-10-14-8-9-15(20-14)11-19-13-6-4-12(17)5-7-13/h4-7,14-15,18H,8-11H2,1-3H3
InChIKeyYQBQTJPSKLUMHI-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenoxy)methyl]-5-methanidyloxolane;tungsten(2+)
CID 20590710
N-[[5-[(4-bromo-2-methylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 63216594
4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006099
4-[(2R,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-2-yn-1-ol
CID 70006094
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-[[5-(cycloheptyloxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460585
N-[[5-(2-methoxyethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 55077944
1-[5-[(3-bromo-4-fluorophenoxy)methyl]oxolan-2-yl]-N-methylmethanamine
CID 83234335
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 40539155
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 62459646
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62784526
[(3R,6S)-6-[(4-fluorophenoxy)methyl]oxan-3-yl]methanamine
CID 69476160

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine (CID 62454144) is N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC(COc2ccc(F)cc2)O1.
What is the InChIKey of N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YQBQTJPSKLUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-16(2,3)18-10-14-8-9-15(20-14)11-19-13-6-4-12(17)5-7-13/h4-7,14-15,18H,8-11H2,1-3H3.
What are the key properties of N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62454144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).