3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine

C16H25NO — CID 159489499

IUPAC3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine
SMILESCCc1ccc(COC2CN(CC(C)C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-14-5-7-15(8-6-14)12-18-16-10-17(11-16)9-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyYJYMWRRZZGWELH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds6

About 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine

3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine (PubChem CID 159489499) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine
PubChem CID159489499
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine
SMILESCCc1ccc(COC2CN(CC(C)C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-14-5-7-15(8-6-14)12-18-16-10-17(11-16)9-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeyYJYMWRRZZGWELH-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine (CID 159489499) is 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine is CCc1ccc(COC2CN(CC(C)C)C2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine?
The InChIKey is YJYMWRRZZGWELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14-5-7-15(8-6-14)12-18-16-10-17(11-16)9-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine?
3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine has a molecular weight of 247.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methoxy]-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 159489499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).