8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C24H30FNO3 — CID 46966028

IUPAC8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOCc1cc(CN2C3CCC2CC(O)(c2ccc(F)cc2)C3)ccc1OC
InChIInChI=1S/C24H30FNO3/c1-3-29-16-18-12-17(4-11-23(18)28-2)15-26-21-9-10-22(26)14-24(27,13-21)19-5-7-20(25)8-6-19/h4-8,11-12,21-22,27H,3,9-10,13-16H2,1-2H3
InChIKeyQFWGDRZJKSYXES-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.39
Rot. Bonds7

About 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 46966028) has the molecular formula C24H30FNO3 and a molecular weight of 399.51 g/mol. Its IUPAC name is 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID46966028
Molecular FormulaC24H30FNO3
Molecular Weight399.51 g/mol
Exact Mass399.22
IUPAC Name8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCOCc1cc(CN2C3CCC2CC(O)(c2ccc(F)cc2)C3)ccc1OC
InChIInChI=1S/C24H30FNO3/c1-3-29-16-18-12-17(4-11-23(18)28-2)15-26-21-9-10-22(26)14-24(27,13-21)19-5-7-20(25)8-6-19/h4-8,11-12,21-22,27H,3,9-10,13-16H2,1-2H3
InChIKeyQFWGDRZJKSYXES-UHFFFAOYSA-N
XLogP4.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,5S)-8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92593086
(1R,5S)-3-(4-fluorophenyl)-8-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 92594258
8-[(5-ethoxy-4-methoxy-2-methylphenyl)methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46955314
(1S,5S)-3-(3-fluorophenyl)-8-[(2-methoxy-5-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137257
(1R,5S)-8-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 51495444
8-benzyl-3-(4-methoxy-3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961415
(1S,5S)-3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74243892
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
8-benzyl-3-(3,4-difluoro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954789
(1R,5S)-3-(4-fluorophenyl)-8-[(2-propan-2-ylpyrimidin-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51499322
(1S,5S)-8-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98137280
8-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 16673665

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 46966028) is 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCOCc1cc(CN2C3CCC2CC(O)(c2ccc(F)cc2)C3)ccc1OC.
What is the InChIKey of 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QFWGDRZJKSYXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO3/c1-3-29-16-18-12-17(4-11-23(18)28-2)15-26-21-9-10-22(26)14-24(27,13-21)19-5-7-20(25)8-6-19/h4-8,11-12,21-22,27H,3,9-10,13-16H2,1-2H3.
What are the key properties of 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 399.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 46966028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).