(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C15H20FNO2 — CID 82686001

IUPAC(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESNc1ccc(F)cc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO2/c16-11-2-3-13(17)12(8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9,17H2
InChIKeyLGHAWPDTZAXVBV-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.79
Rot. Bonds2

About (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 82686001) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID82686001
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESNc1ccc(F)cc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO2/c16-11-2-3-13(17)12(8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9,17H2
InChIKeyLGHAWPDTZAXVBV-UHFFFAOYSA-N
XLogP2.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82683334
(2-amino-5-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82697881
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(2-bromo-5-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016281
[2-(difluoromethoxy)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79902050
[(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105219487
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
[(2-bromo-5-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325503

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 82686001) is (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is Nc1ccc(F)cc1C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is LGHAWPDTZAXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-11-2-3-13(17)12(8-11)14(18)10-4-7-19-15(9-10)5-1-6-15/h2-3,8,10,14,18H,1,4-7,9,17H2.
What are the key properties of (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 265.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 82686001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).