3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine

C16H25NO — CID 106459851

IUPAC3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine
SMILESCC(C)COCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C16H25NO/c1-14(2)11-18-9-8-16(12-17-13-16)10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyJVBZLPXBMMEYBA-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.88
Rot. Bonds7

About 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine

3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine (PubChem CID 106459851) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine
PubChem CID106459851
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine
SMILESCC(C)COCCC1(Cc2ccccc2)CNC1
InChIInChI=1S/C16H25NO/c1-14(2)11-18-9-8-16(12-17-13-16)10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3
InChIKeyJVBZLPXBMMEYBA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-3-nonylazetidine
CID 79451822
3-benzyl-3-butylazetidine
CID 79451820
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
3-benzyl-3-[(2,6-difluorophenyl)methyl]azetidine
CID 114935042
5-[2-(3-benzylazetidin-3-yl)ethyl]-4-methyl-1,3-thiazole
CID 79452431
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
3-benzyl-3-[(3,4-dichlorophenyl)methyl]azetidine
CID 79451201
3-[(4-methylphenyl)methyl]-3-propylazetidine
CID 79451840
[(3S)-3-[2-(2-phenylethoxy)ethyl]piperidin-3-yl]methanol
CID 68829570
3-[2-(2-ethoxyphenoxy)ethyl]-3-ethylazetidine
CID 79452061
1-[2-(2-methylpropoxy)ethoxy]-3-phenylpropan-2-one
CID 106448309

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine?
The IUPAC name of 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine (CID 106459851) is 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine.
What is the SMILES notation for 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine?
The canonical SMILES for 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine is CC(C)COCCC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine?
The InChIKey is JVBZLPXBMMEYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)11-18-9-8-16(12-17-13-16)10-15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3.
What are the key properties of 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine?
3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine has a molecular weight of 247.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-[2-(2-methylpropoxy)ethyl]azetidine is sourced from PubChem (CID 106459851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).