1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine

C16H24FNO2 — CID 115958778

IUPAC1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCC1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-2-14(18)10-13-4-3-5-15(17)16(13)20-11-12-6-8-19-9-7-12/h3-5,12,14H,2,6-11,18H2,1H3
InChIKeyABYNGXZZFZZYQQ-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.91
Rot. Bonds6

About 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine

1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine (PubChem CID 115958778) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
PubChem CID115958778
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCC1CCOCC1
InChIInChI=1S/C16H24FNO2/c1-2-14(18)10-13-4-3-5-15(17)16(13)20-11-12-6-8-19-9-7-12/h3-5,12,14H,2,6-11,18H2,1H3
InChIKeyABYNGXZZFZZYQQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990
1-[2-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958807
1-[2-(3-ethylcyclohexyl)oxy-3-fluorophenyl]butan-2-amine
CID 115958827
1-[3-ethoxy-2-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60907517

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine (CID 115958778) is 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OCC1CCOCC1.
What is the InChIKey of 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is ABYNGXZZFZZYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-14(18)10-13-4-3-5-15(17)16(13)20-11-12-6-8-19-9-7-12/h3-5,12,14H,2,6-11,18H2,1H3.
What are the key properties of 1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine?
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 2.91, 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-4-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 115958778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).