4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine

C11H22FNO2 — CID 103392450

IUPAC4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOCC1
InChIInChI=1S/C11H22FNO2/c1-14-9-11(12,5-2-6-13)10-3-7-15-8-4-10/h10H,2-9,13H2,1H3
InChIKeyQGDOIFQHXWQGTK-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.51
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine (PubChem CID 103392450) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
PubChem CID103392450
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCOCC1
InChIInChI=1S/C11H22FNO2/c1-14-9-11(12,5-2-6-13)10-3-7-15-8-4-10/h10H,2-9,13H2,1H3
InChIKeyQGDOIFQHXWQGTK-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-Fluoro-7-methoxy-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392482
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686
3-Fluoro-4-(oxan-4-yl)butan-1-amine
CID 104277132
3-Fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431673
2-Fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431675
2-(4-Fluorooxan-4-yl)propan-1-amine
CID 105431693
3-Fluoro-3-(oxan-3-yl)butan-2-amine
CID 105436231
3-Fluoro-3-(oxan-3-yl)butan-1-amine
CID 105436233

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine (CID 103392450) is 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine is COCC(F)(CCCN)C1CCOCC1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine?
The InChIKey is QGDOIFQHXWQGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-14-9-11(12,5-2-6-13)10-3-7-15-8-4-10/h10H,2-9,13H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(oxan-4-yl)pentan-1-amine has a molecular weight of 219.30 g/mol, XLogP of 1.51, 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-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 103392450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).