[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine

C16H22FNO2 — CID 102896074

IUPAC[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H22FNO2/c17-14-4-3-5-15(13(14)10-18)19-11-12-6-9-16(20-12)7-1-2-8-16/h3-5,12H,1-2,6-11,18H2
InChIKeyYHXDGAJFKZAXBP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.15
Rot. Bonds4

About [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine

[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine (PubChem CID 102896074) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
PubChem CID102896074
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H22FNO2/c17-14-4-3-5-15(13(14)10-18)19-11-12-6-9-16(20-12)7-1-2-8-16/h3-5,12H,1-2,6-11,18H2
InChIKeyYHXDGAJFKZAXBP-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896119
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126
2-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanamine
CID 102899674
[5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanol
CID 107698517

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine (CID 102896074) is [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine is NCc1c(F)cccc1OCC1CCC2(CCCC2)O1.
What is the InChIKey of [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is YHXDGAJFKZAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-4-3-5-15(13(14)10-18)19-11-12-6-9-16(20-12)7-1-2-8-16/h3-5,12H,1-2,6-11,18H2.
What are the key properties of [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine?
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 102896074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).