1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine

C16H24FNO2 — CID 115958795

IUPAC1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCC1CCCCO1
InChIInChI=1S/C16H24FNO2/c1-2-13(18)10-12-6-5-8-15(17)16(12)20-11-14-7-3-4-9-19-14/h5-6,8,13-14H,2-4,7,9-11,18H2,1H3
InChIKeyGAODVHJKIITSIZ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.05
Rot. Bonds6

About 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine

1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine (PubChem CID 115958795) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
PubChem CID115958795
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCC1CCCCO1
InChIInChI=1S/C16H24FNO2/c1-2-13(18)10-12-6-5-8-15(17)16(12)20-11-14-7-3-4-9-19-14/h5-6,8,13-14H,2-4,7,9-11,18H2,1H3
InChIKeyGAODVHJKIITSIZ-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
1-[3-bromo-2-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 61392575
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
2-[3-ethoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904856
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine (CID 115958795) is 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OCC1CCCCO1.
What is the InChIKey of 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is GAODVHJKIITSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-13(18)10-12-6-5-8-15(17)16(12)20-11-14-7-3-4-9-19-14/h5-6,8,13-14H,2-4,7,9-11,18H2,1H3.
What are the key properties of 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine?
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 115958795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).