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

C15H23NO — CID 79451831

IUPAC3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
SMILESCOc1ccccc1CC1(CC(C)C)CNC1
InChIInChI=1S/C15H23NO/c1-12(2)8-15(10-16-11-15)9-13-6-4-5-7-14(13)17-3/h4-7,12,16H,8-11H2,1-3H3
InChIKeyNJSOFOGJDXVNTD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.87
Rot. Bonds5

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

3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine (PubChem CID 79451831) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
PubChem CID79451831
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
SMILESCOc1ccccc1CC1(CC(C)C)CNC1
InChIInChI=1S/C15H23NO/c1-12(2)8-15(10-16-11-15)9-13-6-4-5-7-14(13)17-3/h4-7,12,16H,8-11H2,1-3H3
InChIKeyNJSOFOGJDXVNTD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
[1-[(2-methoxyphenyl)methyl]cyclopentyl]methanamine
CID 62725891
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712827
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
CID 117228329
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
2-[(2-methoxyphenyl)methyl]-2,5,5-trimethyl-1,3-oxazinane
CID 117226883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine (CID 79451831) is 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine is COc1ccccc1CC1(CC(C)C)CNC1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine?
The InChIKey is NJSOFOGJDXVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)8-15(10-16-11-15)9-13-6-4-5-7-14(13)17-3/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine?
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine has a molecular weight of 233.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 79451831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).