4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine

C11H22FNO2 — CID 107138262

IUPAC4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCOC1
InChIInChI=1S/C11H22FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h10H,2-9,13H2,1H3
InChIKeyBCFSBGDZURVMOC-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.51
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine (PubChem CID 107138262) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine
PubChem CID107138262
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCOC1
InChIInChI=1S/C11H22FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h10H,2-9,13H2,1H3
InChIKeyBCFSBGDZURVMOC-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

4-Fluoro-5-methoxy-4-(oxolan-3-yl)pentan-1-amine
CID 103392416
4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424
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-Fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine
CID 103392496
4-Cyclohexyl-4-fluoro-5-methoxypentan-1-amine
CID 103392516
4-Fluoro-5-methoxy-4-(4-methylcyclohexyl)pentan-1-amine
CID 103392529
4-(3,5-Dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392563
4-(4-Ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392599
4-(2-Ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392667
3-Fluoro-4-(oxan-4-yl)butan-1-amine
CID 104277132
3-Fluoro-3-(oxan-3-yl)propan-1-amine
CID 105431673

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine (CID 107138262) is 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine is COCC(F)(CCCN)C1CCCOC1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine?
The InChIKey is BCFSBGDZURVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-14-9-11(12,5-3-6-13)10-4-2-7-15-8-10/h10H,2-9,13H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-4-(oxan-3-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(oxan-3-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-3-yl)pentan-1-amine is sourced from PubChem (CID 107138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).