1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol

C12H16FNO — CID 105374755

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
SMILESCc1ccc(F)cc1CN1CC(C)(O)C1
InChIInChI=1S/C12H16FNO/c1-9-3-4-11(13)5-10(9)6-14-7-12(2,15)8-14/h3-5,15H,6-8H2,1-2H3
InChIKeyUUCKHAUKUVYMEX-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.70
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol

1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol (PubChem CID 105374755) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
PubChem CID105374755
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
SMILESCc1ccc(F)cc1CN1CC(C)(O)C1
InChIInChI=1S/C12H16FNO/c1-9-3-4-11(13)5-10(9)6-14-7-12(2,15)8-14/h3-5,15H,6-8H2,1-2H3
InChIKeyUUCKHAUKUVYMEX-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-3,3-dimethylpiperazine
CID 115970389
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161911
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
4-fluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 115873563
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol (CID 105374755) is 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol is Cc1ccc(F)cc1CN1CC(C)(O)C1.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol?
The InChIKey is UUCKHAUKUVYMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-3-4-11(13)5-10(9)6-14-7-12(2,15)8-14/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol?
1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 105374755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).