N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H21F2NO2 — CID 79118623

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ccc(F)cc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21F2NO2/c1-19(11-12-2-3-13(17)10-15(12)18)14-4-6-16(7-5-14)20-8-9-21-16/h2-3,10,14H,4-9,11H2,1H3
InChIKeyWOHCCIPOYZVGJD-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.08
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 79118623) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID79118623
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCN(Cc1ccc(F)cc1F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H21F2NO2/c1-19(11-12-2-3-13(17)10-15(12)18)14-4-6-16(7-5-14)20-8-9-21-16/h2-3,10,14H,4-9,11H2,1H3
InChIKeyWOHCCIPOYZVGJD-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 79118623) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CN(Cc1ccc(F)cc1F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is WOHCCIPOYZVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-19(11-12-2-3-13(17)10-15(12)18)14-4-6-16(7-5-14)20-8-9-21-16/h2-3,10,14H,4-9,11H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 297.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 79118623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).