1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol

C17H24FNO3 — CID 167950146

IUPAC1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCOC2(CCOC2C)C1
InChIInChI=1S/C17H24FNO3/c1-12-9-14(18)3-4-15(12)16(20)10-19-6-8-22-17(11-19)5-7-21-13(17)2/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3
InChIKeyGUIZFKASPNGMNQ-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol

1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol (PubChem CID 167950146) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
PubChem CID167950146
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol
SMILESCc1cc(F)ccc1C(O)CN1CCOC2(CCOC2C)C1
InChIInChI=1S/C17H24FNO3/c1-12-9-14(18)3-4-15(12)16(20)10-19-6-8-22-17(11-19)5-7-21-13(17)2/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3
InChIKeyGUIZFKASPNGMNQ-UHFFFAOYSA-N
XLogP2.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol with MolForge

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Related Compounds

2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
2-(3-ethylmorpholin-4-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565155
3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
CID 125140300
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
CID 111564930
(1R,5S)-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 125140287
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111565070

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol (CID 167950146) is 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol is Cc1cc(F)ccc1C(O)CN1CCOC2(CCOC2C)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is GUIZFKASPNGMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-12-9-14(18)3-4-15(12)16(20)10-19-6-8-22-17(11-19)5-7-21-13(17)2/h3-4,9,13,16,20H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol?
1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 309.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 167950146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).