2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine

C14H20FNO2 — CID 102981002

IUPAC2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1cc(F)ccc1C)C1CCOC1
InChIInChI=1S/C14H20FNO2/c1-10-3-4-12(15)7-14(10)18-9-13(16-2)11-5-6-17-8-11/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3
InChIKeyZSDMKNOYEKFIBQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds5

About 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine

2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 102981002) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID102981002
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(COc1cc(F)ccc1C)C1CCOC1
InChIInChI=1S/C14H20FNO2/c1-10-3-4-12(15)7-14(10)18-9-13(16-2)11-5-6-17-8-11/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3
InChIKeyZSDMKNOYEKFIBQ-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
2-(2-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748356
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
N-methyl-1-(oxolan-3-yl)-2-(2-propan-2-ylphenoxy)ethanamine
CID 104748617
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
3-(2,2-difluoroethoxy)-4-methyl-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628141
2-(3-tert-butylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749046
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 102981002) is 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(COc1cc(F)ccc1C)C1CCOC1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is ZSDMKNOYEKFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-3-4-12(15)7-14(10)18-9-13(16-2)11-5-6-17-8-11/h3-4,7,11,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 102981002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).