(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine

C16H24FNO2 — CID 104940261

IUPAC(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24FNO2/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14H,9,18H2,1-5H3/t10-,14?/m0/s1
InChIKeyIDKZSRNQIAYQEA-XLLULAGJSA-N
MW281.37 g/mol
LogP3.57
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine

(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine (PubChem CID 104940261) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
PubChem CID104940261
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
SMILESC[C@H](N)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H24FNO2/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14H,9,18H2,1-5H3/t10-,14?/m0/s1
InChIKeyIDKZSRNQIAYQEA-XLLULAGJSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 102948479
3-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 114623612
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
CID 114623669
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
CID 107098657
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
[(1R,3S)-3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]cyclopentyl] hydrogen carbonate
CID 175077294
[6-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxy-2-pyridinyl]methanamine
CID 114621146

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine (CID 104940261) is (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine is C[C@H](N)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The InChIKey is IDKZSRNQIAYQEA-XLLULAGJSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14H,9,18H2,1-5H3/t10-,14?/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 104940261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).