1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine

C17H26FNO2 — CID 114623669

IUPAC1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)cc(OC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H26FNO2/c1-11(19)6-12-7-13(18)9-14(8-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15H,6,10,19H2,1-5H3
InChIKeyPPGOFJDZHDZWGS-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.44
Rot. Bonds4

About 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine

1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine (PubChem CID 114623669) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
PubChem CID114623669
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)cc(OC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H26FNO2/c1-11(19)6-12-7-13(18)9-14(8-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15H,6,10,19H2,1-5H3
InChIKeyPPGOFJDZHDZWGS-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]prop-2-yn-1-amine
CID 114623622
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
N-[[3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methyl]propan-2-amine
CID 114621097
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
[2-(3,5-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105206767
3-[2-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]prop-2-yn-1-amine
CID 114623621
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
CID 107098657
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine (CID 114623669) is 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine is CC(N)Cc1cc(F)cc(OC2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine?
The InChIKey is PPGOFJDZHDZWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-11(19)6-12-7-13(18)9-14(8-12)20-15-10-16(2,3)21-17(15,4)5/h7-9,11,15H,6,10,19H2,1-5H3.
What are the key properties of 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine?
1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 114623669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).