3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine

C18H20FN — CID 79460489

IUPAC3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
SMILESCc1ccc(CC2(c3cccc(F)c3)CNC2)cc1C
InChIInChI=1S/C18H20FN/c1-13-6-7-15(8-14(13)2)10-18(11-20-12-18)16-4-3-5-17(19)9-16/h3-9,20H,10-12H2,1-2H3
InChIKeyGRPHCOKVHBEGCJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.53
Rot. Bonds3

About 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine

3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine (PubChem CID 79460489) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
PubChem CID79460489
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
SMILESCc1ccc(CC2(c3cccc(F)c3)CNC2)cc1C
InChIInChI=1S/C18H20FN/c1-13-6-7-15(8-14(13)2)10-18(11-20-12-18)16-4-3-5-17(19)9-16/h3-9,20H,10-12H2,1-2H3
InChIKeyGRPHCOKVHBEGCJ-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-2-methyltetrazole
CID 107058629
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
4-bromo-1-ethyl-5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-3-methylpyrazole
CID 79460887
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 79460484
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-(3-fluorophenyl)-3-(2-propoxyethyl)azetidine
CID 106459870
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
3-[(4-fluoro-2-methylphenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 114350031
5-[[3-(3-fluorophenyl)azetidin-3-yl]methyl]-1-propyl-1,2,4-triazole
CID 79459810

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine (CID 79460489) is 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine is Cc1ccc(CC2(c3cccc(F)c3)CNC2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine?
The InChIKey is GRPHCOKVHBEGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-6-7-15(8-14(13)2)10-18(11-20-12-18)16-4-3-5-17(19)9-16/h3-9,20H,10-12H2,1-2H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine?
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine has a molecular weight of 269.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine is sourced from PubChem (CID 79460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).