2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine

C15H23NO — CID 115058809

IUPAC2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
SMILESCOc1cccc(CC2(CC(C)C)CCN2)c1
InChIInChI=1S/C15H23NO/c1-12(2)10-15(7-8-16-15)11-13-5-4-6-14(9-13)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyZDBAKPMUUIHOSM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine

2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine (PubChem CID 115058809) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
PubChem CID115058809
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
SMILESCOc1cccc(CC2(CC(C)C)CCN2)c1
InChIInChI=1S/C15H23NO/c1-12(2)10-15(7-8-16-15)11-13-5-4-6-14(9-13)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyZDBAKPMUUIHOSM-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
CID 104688379
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine (CID 115058809) is 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine is COc1cccc(CC2(CC(C)C)CCN2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine?
The InChIKey is ZDBAKPMUUIHOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)10-15(7-8-16-15)11-13-5-4-6-14(9-13)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine?
2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine has a molecular weight of 233.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine is sourced from PubChem (CID 115058809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).