1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine

C18H26FNO3 — CID 68987720

IUPAC1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H26FNO3/c1-21-11-6-16(20)17(14-2-4-15(19)5-3-14)7-9-18(10-8-17)22-12-13-23-18/h2-5,16H,6-13,20H2,1H3
InChIKeyJGCQOXHLIDAJRX-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.74
Rot. Bonds5

About 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine

1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine (PubChem CID 68987720) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine
PubChem CID68987720
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C18H26FNO3/c1-21-11-6-16(20)17(14-2-4-15(19)5-3-14)7-9-18(10-8-17)22-12-13-23-18/h2-5,16H,6-13,20H2,1H3
InChIKeyJGCQOXHLIDAJRX-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine (CID 68987720) is 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine is COCCC(N)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine?
The InChIKey is JGCQOXHLIDAJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-21-11-6-16(20)17(14-2-4-15(19)5-3-14)7-9-18(10-8-17)22-12-13-23-18/h2-5,16H,6-13,20H2,1H3.
What are the key properties of 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine?
1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine has a molecular weight of 323.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 68987720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).