1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol

C22H27FN2O — CID 170736586

IUPAC1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol
SMILESCc1cc(C2CN(c3ccccc3F)C2)cc(C)c1CN1CC(C)(O)C1
InChIInChI=1S/C22H27FN2O/c1-15-8-17(9-16(2)19(15)12-24-13-22(3,26)14-24)18-10-25(11-18)21-7-5-4-6-20(21)23/h4-9,18,26H,10-14H2,1-3H3
InChIKeyNEXMEMILSIAWIA-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.61
Rot. Bonds4

About 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol

1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol (PubChem CID 170736586) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol
PubChem CID170736586
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol
SMILESCc1cc(C2CN(c3ccccc3F)C2)cc(C)c1CN1CC(C)(O)C1
InChIInChI=1S/C22H27FN2O/c1-15-8-17(9-16(2)19(15)12-24-13-22(3,26)14-24)18-10-25(11-18)21-7-5-4-6-20(21)23/h4-9,18,26H,10-14H2,1-3H3
InChIKeyNEXMEMILSIAWIA-UHFFFAOYSA-N
XLogP3.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982091
1-(2-fluorophenyl)-3-methylazetidin-3-ol
CID 173302434
1-[[4-[1-(2-cyclopropylphenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]piperidine-4-carboxylic acid;formic acid
CID 175535034
1-[(5-fluoro-2-methylphenyl)methyl]-3-methylazetidin-3-ol
CID 105374755
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
[1-(2-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024876
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-(2-fluorophenyl)-4,4-dimethylpiperidin-3-ol
CID 117025105
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
3-(2-fluorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 84779141

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol (CID 170736586) is 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol is Cc1cc(C2CN(c3ccccc3F)C2)cc(C)c1CN1CC(C)(O)C1.
What is the InChIKey of 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol?
The InChIKey is NEXMEMILSIAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-15-8-17(9-16(2)19(15)12-24-13-22(3,26)14-24)18-10-25(11-18)21-7-5-4-6-20(21)23/h4-9,18,26H,10-14H2,1-3H3.
What are the key properties of 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol?
1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol has a molecular weight of 354.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(2-fluorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 170736586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).