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

C15H20FNO — CID 79898100

IUPACN-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccc(F)cc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO/c1-11-3-4-12(16)9-14(11)17-13-5-8-18-15(10-13)6-2-7-15/h3-4,9,13,17H,2,5-8,10H2,1H3
InChIKeyRLUUJXMOYHSQLA-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.65
Rot. Bonds2

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

N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79898100) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79898100
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCc1ccc(F)cc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20FNO/c1-11-3-4-12(16)9-14(11)17-13-5-8-18-15(10-13)6-2-7-15/h3-4,9,13,17H,2,5-8,10H2,1H3
InChIKeyRLUUJXMOYHSQLA-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
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-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(2-chloro-5-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 107528319
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
8-fluoro-2-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377639
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79898100) is N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine is Cc1ccc(F)cc1NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is RLUUJXMOYHSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-3-4-12(16)9-14(11)17-13-5-8-18-15(10-13)6-2-7-15/h3-4,9,13,17H,2,5-8,10H2,1H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 249.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79898100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).