3-[(3-fluoro-4-methylphenyl)methyl]azetidine

C11H14FN — CID 63647017

IUPAC3-[(3-fluoro-4-methylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)cc1F
InChIInChI=1S/C11H14FN/c1-8-2-3-9(5-11(8)12)4-10-6-13-7-10/h2-3,5,10,13H,4,6-7H2,1H3
InChIKeyMOCKJHAKFPKZKS-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.90
Rot. Bonds2

About 3-[(3-fluoro-4-methylphenyl)methyl]azetidine

3-[(3-fluoro-4-methylphenyl)methyl]azetidine (PubChem CID 63647017) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)methyl]azetidine
PubChem CID63647017
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-[(3-fluoro-4-methylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)cc1F
InChIInChI=1S/C11H14FN/c1-8-2-3-9(5-11(8)12)4-10-6-13-7-10/h2-3,5,10,13H,4,6-7H2,1H3
InChIKeyMOCKJHAKFPKZKS-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
CID 82283901
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
4-(cyclohexylmethyl)-2-fluoro-1-methylbenzene;1-ethyl-4-methylcyclohexane
CID 90733445
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
2-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 171325983
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]azetidine (CID 63647017) is 3-[(3-fluoro-4-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)methyl]azetidine is Cc1ccc(CC2CNC2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)methyl]azetidine?
The InChIKey is MOCKJHAKFPKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-2-3-9(5-11(8)12)4-10-6-13-7-10/h2-3,5,10,13H,4,6-7H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)methyl]azetidine?
3-[(3-fluoro-4-methylphenyl)methyl]azetidine has a molecular weight of 179.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)methyl]azetidine is sourced from PubChem (CID 63647017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).