3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine

C17H20FNO2 — CID 81314759

IUPAC3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H20FNO2/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15H,2,4-8,12,19H2
InChIKeyUDGYIIZNPCZWMF-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.62
Rot. Bonds2

About 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine (PubChem CID 81314759) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
PubChem CID81314759
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1
InChIInChI=1S/C17H20FNO2/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15H,2,4-8,12,19H2
InChIKeyUDGYIIZNPCZWMF-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 81313648
3-[5-(6-oxaspiro[4.5]decan-9-yloxy)-3-pyridinyl]prop-2-yn-1-amine
CID 79908184
3-[3-fluoro-5-(4-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81326142
3-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79910942
3-[3-fluoro-5-(3-methylcyclohexyl)oxyphenyl]prop-2-yn-1-amine
CID 81325530
4-[3-fluoro-5-(oxan-3-yloxy)phenyl]but-3-yn-1-ol
CID 107137047
3-[3-fluoro-5-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]prop-2-yn-1-amine
CID 114623622
4-(3-bromo-5-fluorophenoxy)-1-oxa-9-thiaspiro[5.5]undecane
CID 81332278
3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79907882
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326455
8-(4-chloro-3-fluorophenoxy)-5-oxaspiro[3.5]nonane
CID 82727190
1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
CID 81326053

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine (CID 81314759) is 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine is NCC#Cc1cc(F)cc(OC2CCOC3(CCC3)C2)c1.
What is the InChIKey of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine?
The InChIKey is UDGYIIZNPCZWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c18-14-9-13(3-1-7-19)10-16(11-14)21-15-4-8-20-17(12-15)5-2-6-17/h9-11,15H,2,4-8,12,19H2.
What are the key properties of 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine?
3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 81314759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).