1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine

C17H24FNO — CID 114833601

IUPAC1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
SMILESCC(N)(Cc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNO/c1-16(19,11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14H,4,7-12,19H2,1H3
InChIKeyVZHLMXUUTBATDY-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine

1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine (PubChem CID 114833601) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
PubChem CID114833601
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
SMILESCC(N)(Cc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNO/c1-16(19,11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14H,4,7-12,19H2,1H3
InChIKeyVZHLMXUUTBATDY-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79914933
1-(2-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913527
1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900
2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
[2-(2,3-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322187
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine (CID 114833601) is 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine is CC(N)(Cc1ccccc1F)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine?
The InChIKey is VZHLMXUUTBATDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-16(19,11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14H,4,7-12,19H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine?
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine has a molecular weight of 277.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine is sourced from PubChem (CID 114833601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).