N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine

C15H20FNO2 — CID 79895813

IUPACN-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1cc(F)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO2/c1-18-14-9-11(16)3-4-13(14)17-12-5-8-19-15(10-12)6-2-7-15/h3-4,9,12,17H,2,5-8,10H2,1H3
InChIKeyBPFXTGKDBXEYAZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.35
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79895813) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79895813
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCOc1cc(F)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO2/c1-18-14-9-11(16)3-4-13(14)17-12-5-8-19-15(10-12)6-2-7-15/h3-4,9,12,17H,2,5-8,10H2,1H3
InChIKeyBPFXTGKDBXEYAZ-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79901606
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(2,4-dibromo-5-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 103413368
N-(3,5-dimethoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898455
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79895813) is N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine is COc1cc(F)ccc1NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is BPFXTGKDBXEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-18-14-9-11(16)3-4-13(14)17-12-5-8-19-15(10-12)6-2-7-15/h3-4,9,12,17H,2,5-8,10H2,1H3.
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 265.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79895813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).