1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine

C17H24FNO2 — CID 79907776

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H24FNO2/c1-16(19,13-2-4-15(18)5-3-13)14-6-9-21-17(12-14)7-10-20-11-8-17/h2-5,14H,6-12,19H2,1H3
InChIKeyDLTPPSOWJXWYRX-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.98
Rot. Bonds2

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine (PubChem CID 79907776) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
PubChem CID79907776
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H24FNO2/c1-16(19,13-2-4-15(18)5-3-13)14-6-9-21-17(12-14)7-10-20-11-8-17/h2-5,14H,6-12,19H2,1H3
InChIKeyDLTPPSOWJXWYRX-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718
1-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79912639
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 79909150

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine (CID 79907776) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine is CC(N)(c1ccc(F)cc1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine?
The InChIKey is DLTPPSOWJXWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(19,13-2-4-15(18)5-3-13)14-6-9-21-17(12-14)7-10-20-11-8-17/h2-5,14H,6-12,19H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine has a molecular weight of 293.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 79907776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).