N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

C16H24FNO2 — CID 107134528

IUPACN-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1OC1CCCOC1
InChIInChI=1S/C16H24FNO2/c1-12(2)9-18-10-13-5-3-7-15(17)16(13)20-14-6-4-8-19-11-14/h3,5,7,12,14,18H,4,6,8-11H2,1-2H3
InChIKeyXIAXVGIQCZVZPP-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.13
Rot. Bonds6

About N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107134528) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107134528
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1OC1CCCOC1
InChIInChI=1S/C16H24FNO2/c1-12(2)9-18-10-13-5-3-7-15(17)16(13)20-14-6-4-8-19-11-14/h3,5,7,12,14,18H,4,6,8-11H2,1-2H3
InChIKeyXIAXVGIQCZVZPP-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63557933
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[[2-bromo-5-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134487
N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
CID 115005747
N-[[3-fluoro-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 115955018
2-methyl-N-[[6-(oxolan-3-yloxy)-2-pyridinyl]methyl]propan-1-amine
CID 63557509
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (CID 107134528) is N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(F)c1OC1CCCOC1.
What is the InChIKey of N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XIAXVGIQCZVZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12(2)9-18-10-13-5-3-7-15(17)16(13)20-14-6-4-8-19-11-14/h3,5,7,12,14,18H,4,6,8-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).