N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

C15H20FNO2 — CID 71683332

IUPACN-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1ccccc1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20FNO2/c16-14-4-2-1-3-12(14)10-17-13-5-7-19-15(9-13)6-8-18-11-15/h1-4,13,17H,5-11H2
InChIKeyDAVQEIRLZPGPDF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.25
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 71683332) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID71683332
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESFc1ccccc1CNC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20FNO2/c16-14-4-2-1-3-12(14)10-17-13-5-7-19-15(9-13)6-8-18-11-15/h1-4,13,17H,5-11H2
InChIKeyDAVQEIRLZPGPDF-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-2-ylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897969
N-[(3-ethyl-2-pyridinyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 82737815
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
(5S,9S)-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255380
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897702
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
2-fluoro-6-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]phenol
CID 136521458
(5S,9R)-N-[(2,4,6-trimethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 97255391
N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 71683332) is N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is Fc1ccccc1CNC1CCOC2(CCOC2)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is DAVQEIRLZPGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-14-4-2-1-3-12(14)10-17-13-5-7-19-15(9-13)6-8-18-11-15/h1-4,13,17H,5-11H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 265.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 71683332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).