1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine

C17H26FNO2 — CID 114621180

IUPAC1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC(C)(C)OC2(C)C)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-11(19-6)12-7-8-14(13(18)9-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15,19H,10H2,1-6H3
InChIKeyMXYLMAQJMFRXDJ-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds4

About 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine

1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine (PubChem CID 114621180) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
PubChem CID114621180
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CC(C)(C)OC2(C)C)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-11(19-6)12-7-8-14(13(18)9-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15,19H,10H2,1-6H3
InChIKeyMXYLMAQJMFRXDJ-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 104940321
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine (CID 114621180) is 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OC2CC(C)(C)OC2(C)C)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine?
The InChIKey is MXYLMAQJMFRXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-11(19-6)12-7-8-14(13(18)9-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15,19H,10H2,1-6H3.
What are the key properties of 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine?
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine is sourced from PubChem (CID 114621180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).