3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol

C12H16FNO2 — CID 83823334

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
SMILESCOc1ccc(CC2(O)CN(C)C2)cc1F
InChIInChI=1S/C12H16FNO2/c1-14-7-12(15,8-14)6-9-3-4-11(16-2)10(13)5-9/h3-5,15H,6-8H2,1-2H3
InChIKeyJYJZYEFGASXKJT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.05
Rot. Bonds3

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol

3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol (PubChem CID 83823334) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
PubChem CID83823334
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
SMILESCOc1ccc(CC2(O)CN(C)C2)cc1F
InChIInChI=1S/C12H16FNO2/c1-14-7-12(15,8-14)6-9-3-4-11(16-2)10(13)5-9/h3-5,15H,6-8H2,1-2H3
InChIKeyJYJZYEFGASXKJT-UHFFFAOYSA-N
XLogP1.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
3-[(3-fluoro-4-methoxyphenyl)methyl]-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955064
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 65154167
3-[(3-fluoro-4-methoxyphenyl)methyl]-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171955063
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-[(3-fluoro-4-methoxyphenyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663938
4-[(3-bromo-4-methoxyphenyl)methyl]-1-methylazepan-4-ol
CID 65074970
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyloxan-4-ol
CID 114240701
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol (CID 83823334) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol is COc1ccc(CC2(O)CN(C)C2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol?
The InChIKey is JYJZYEFGASXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-14-7-12(15,8-14)6-9-3-4-11(16-2)10(13)5-9/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol?
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol is sourced from PubChem (CID 83823334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).