[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine

C17H24FNO2 — CID 102896073

IUPAC[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H24FNO2/c18-15-5-4-6-16(14(15)11-19)20-12-13-7-10-17(21-13)8-2-1-3-9-17/h4-6,13H,1-3,7-12,19H2
InChIKeyDPBXDMKZKRLINM-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.55
Rot. Bonds4

About [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine

[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine (PubChem CID 102896073) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
PubChem CID102896073
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
SMILESNCc1c(F)cccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H24FNO2/c18-15-5-4-6-16(14(15)11-19)20-12-13-7-10-17(21-13)8-2-1-3-9-17/h4-6,13H,1-3,7-12,19H2
InChIKeyDPBXDMKZKRLINM-UHFFFAOYSA-N
XLogP3.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine with MolForge

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Related Compounds

[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
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
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
[3-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898673
[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896068
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
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
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine (CID 102896073) is [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine is NCc1c(F)cccc1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is DPBXDMKZKRLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-15-5-4-6-16(14(15)11-19)20-12-13-7-10-17(21-13)8-2-1-3-9-17/h4-6,13H,1-3,7-12,19H2.
What are the key properties of [2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine?
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine has a molecular weight of 293.38 g/mol, XLogP of 3.55, 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[4.5]decan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 102896073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).