(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C22H26FNO2 — CID 51501822

IUPAC(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C22H26FNO2/c1-15-6-5-7-16(21(15)26-2)14-24-17-10-11-18(24)13-22(25,12-17)19-8-3-4-9-20(19)23/h3-9,17-18,25H,10-14H2,1-2H3/t17-,18+,22?
InChIKeyDVKPEFRURJKSAO-VSOVRNOCSA-N
MW355.45 g/mol
LogP4.16
Rot. Bonds4

About (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 51501822) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID51501822
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C22H26FNO2/c1-15-6-5-7-16(21(15)26-2)14-24-17-10-11-18(24)13-22(25,12-17)19-8-3-4-9-20(19)23/h3-9,17-18,25H,10-14H2,1-2H3/t17-,18+,22?
InChIKeyDVKPEFRURJKSAO-VSOVRNOCSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
3-(2-fluorophenyl)-8-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671575
(1R,5R)-3-(2-fluorophenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137306
(1R,5S)-3-(2-fluorophenyl)-8-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 51504229
3-(2-fluorophenyl)-8-prop-2-ynyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3836304
3-(2-fluorophenyl)-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 16673405
2-[4-[[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2-methoxyphenoxy]acetamide
CID 46966024
(1R,5R)-3-(2-methoxyphenyl)-8-[(2-prop-2-ynoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137387
8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700623
(1R,5S)-8-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92572436
3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 46955311
(1S,5S)-3-(3-fluorophenyl)-8-[(2-methoxy-5-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137257

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 51501822) is (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is COc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2.
What is the InChIKey of (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DVKPEFRURJKSAO-VSOVRNOCSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-15-6-5-7-16(21(15)26-2)14-24-17-10-11-18(24)13-22(25,12-17)19-8-3-4-9-20(19)23/h3-9,17-18,25H,10-14H2,1-2H3/t17-,18+,22?.
What are the key properties of (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
(1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 355.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(2-fluorophenyl)-8-[(2-methoxy-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 51501822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).