3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine

C12H16FNO — CID 142381651

IUPAC3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine
SMILESCOc1cc(F)ccc1C(C)C1CNC1
InChIInChI=1S/C12H16FNO/c1-8(9-6-14-7-9)11-4-3-10(13)5-12(11)15-2/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyYUVBPTKYXZYENZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.16
Rot. Bonds3

About 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine

3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine (PubChem CID 142381651) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine
PubChem CID142381651
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine
SMILESCOc1cc(F)ccc1C(C)C1CNC1
InChIInChI=1S/C12H16FNO/c1-8(9-6-14-7-9)11-4-3-10(13)5-12(11)15-2/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyYUVBPTKYXZYENZ-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
1-[(R)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171176216
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179588
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171264528
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine?
The IUPAC name of 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine (CID 142381651) is 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine.
What is the SMILES notation for 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine?
The canonical SMILES for 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine is COc1cc(F)ccc1C(C)C1CNC1.
What is the InChIKey of 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine?
The InChIKey is YUVBPTKYXZYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(9-6-14-7-9)11-4-3-10(13)5-12(11)15-2/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine?
3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine has a molecular weight of 209.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine is sourced from PubChem (CID 142381651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).