1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine

C17H24FNO2 — CID 66703550

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FNO2/c1-19(2)16(13-3-5-15(18)6-4-13)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14,16H,7-12H2,1-2H3
InChIKeyXQAYGXXXHULGHN-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.36
Rot. Bonds3

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 66703550) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID66703550
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H24FNO2/c1-19(2)16(13-3-5-15(18)6-4-13)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14,16H,7-12H2,1-2H3
InChIKeyXQAYGXXXHULGHN-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine (CID 66703550) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine is CN(C)C(c1ccc(F)cc1)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is XQAYGXXXHULGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-19(2)16(13-3-5-15(18)6-4-13)14-7-9-17(10-8-14)20-11-12-21-17/h3-6,14,16H,7-12H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 293.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 66703550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).