4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

C14H26FNO2 — CID 103392600

IUPAC4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H26FNO2/c1-17-11-14(15,7-3-8-16)12-4-9-18-13(10-12)5-2-6-13/h12H,2-11,16H2,1H3
InChIKeyXUELLOPHRIPKGG-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.43
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (PubChem CID 103392600) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
PubChem CID103392600
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H26FNO2/c1-17-11-14(15,7-3-8-16)12-4-9-18-13(10-12)5-2-6-13/h12H,2-11,16H2,1H3
InChIKeyXUELLOPHRIPKGG-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-Dioxaspiro[4.5]decan-9-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392434
4-Fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
CID 103392450
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
4-Fluoro-5-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 103392700
3-Fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 104276949
2-[Fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443679
2-[Fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
CID 107443837
2-[1,9-Dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443839
2-Fluoro-2-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 112562774

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine (CID 103392600) is 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOC2(CCC2)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
The InChIKey is XUELLOPHRIPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-17-11-14(15,7-3-8-16)12-4-9-18-13(10-12)5-2-6-13/h12H,2-11,16H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine is sourced from PubChem (CID 103392600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).