3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine

C16H25NO — CID 107391583

IUPAC3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(C(C)(C)C)c(OCCC2CNC2)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(16(2,3)4)15(9-12)18-8-7-13-10-17-11-13/h5-6,9,13,17H,7-8,10-11H2,1-4H3
InChIKeyDYNCCFFAEDVUDY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds4

About 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine

3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine (PubChem CID 107391583) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
PubChem CID107391583
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
SMILESCc1ccc(C(C)(C)C)c(OCCC2CNC2)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(16(2,3)4)15(9-12)18-8-7-13-10-17-11-13/h5-6,9,13,17H,7-8,10-11H2,1-4H3
InChIKeyDYNCCFFAEDVUDY-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-chloro-4-methylphenoxy)ethyl]azetidine
CID 107391714
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine
CID 126490319
2-(4-bromobutoxy)-1-tert-butyl-4-methylbenzene
CID 43165224
1-tert-butyl-4-methyl-2-(3-methyl-3-phenylbutoxy)benzene
CID 126571041
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
4-(2-tert-butyl-5-methylphenoxy)butanethioamide
CID 29013024
4-(2-tert-butyl-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64811237
3-[5-(azetidin-3-yl)-2-tert-butylphenoxy]propan-1-amine
CID 89492663
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine?
The IUPAC name of 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine (CID 107391583) is 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine?
The canonical SMILES for 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine is Cc1ccc(C(C)(C)C)c(OCCC2CNC2)c1.
What is the InChIKey of 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine?
The InChIKey is DYNCCFFAEDVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-6-14(16(2,3)4)15(9-12)18-8-7-13-10-17-11-13/h5-6,9,13,17H,7-8,10-11H2,1-4H3.
What are the key properties of 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine?
3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine has a molecular weight of 247.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine is sourced from PubChem (CID 107391583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).