2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

C17H24FNO — CID 79914933

IUPAC2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCNC(Cc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNO/c1-19-16(11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14,16,19H,4,7-12H2,1H3
InChIKeyFSRDRCAJCKZYEW-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine

2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (PubChem CID 79914933) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
PubChem CID79914933
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
SMILESCNC(Cc1ccccc1F)C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24FNO/c1-19-16(11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14,16,19H,4,7-12H2,1H3
InChIKeyFSRDRCAJCKZYEW-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
[2-(2,3-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322187
2-(2-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79909967
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169206
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
1-(3,4-difluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914897
[1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenylpropyl]hydrazine
CID 105205823
1-(2-fluorophenyl)-2-(5-oxaspiro[3.5]nonan-8-yl)propan-2-amine
CID 114833601
2-(2-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914735
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine (CID 79914933) is 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is CNC(Cc1ccccc1F)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
The InChIKey is FSRDRCAJCKZYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-19-16(11-13-5-2-3-6-15(13)18)14-7-10-20-17(12-14)8-4-9-17/h2-3,5-6,14,16,19H,4,7-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine?
2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine has a molecular weight of 277.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine is sourced from PubChem (CID 79914933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).