(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine

C16H22FNO3 — CID 79900742

IUPAC(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22FNO3/c1-11(18)14-3-2-12(17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,11,13H,4-7,9-10,18H2,1H3/t11-,13?,16?/m0/s1
InChIKeyUGQZMAWLIBRYCM-XOMBGVMMSA-N
MW295.35 g/mol
LogP2.56
Rot. Bonds3

About (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine

(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine (PubChem CID 79900742) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
PubChem CID79900742
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22FNO3/c1-11(18)14-3-2-12(17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,11,13H,4-7,9-10,18H2,1H3/t11-,13?,16?/m0/s1
InChIKeyUGQZMAWLIBRYCM-XOMBGVMMSA-N
XLogP2.56
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(bromomethyl)-4-fluorophenoxy]-2,6-dioxaspiro[4.5]decane
CID 107699125
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
1-[4-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 102946379
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-methoxyaniline
CID 79904832

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine (CID 79900742) is (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine is C[C@H](N)c1ccc(F)cc1OC1CCOC2(CCOC2)C1.
What is the InChIKey of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine?
The InChIKey is UGQZMAWLIBRYCM-XOMBGVMMSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11(18)14-3-2-12(17)8-15(14)21-13-4-6-20-16(9-13)5-7-19-10-16/h2-3,8,11,13H,4-7,9-10,18H2,1H3/t11-,13?,16?/m0/s1.
What are the key properties of (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine?
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine has a molecular weight of 295.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 79900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).