3-[(2-tert-butylphenoxy)methyl]azetidine

C14H21NO — CID 59577199

IUPAC3-[(2-tert-butylphenoxy)methyl]azetidine
SMILESCC(C)(C)c1ccccc1OCC1CNC1
InChIInChI=1S/C14H21NO/c1-14(2,3)12-6-4-5-7-13(12)16-10-11-8-15-9-11/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHVWSBTQNBDDTMP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds3

About 3-[(2-tert-butylphenoxy)methyl]azetidine

3-[(2-tert-butylphenoxy)methyl]azetidine (PubChem CID 59577199) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(2-tert-butylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(2-tert-butylphenoxy)methyl]azetidine
PubChem CID59577199
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(2-tert-butylphenoxy)methyl]azetidine
SMILESCC(C)(C)c1ccccc1OCC1CNC1
InChIInChI=1S/C14H21NO/c1-14(2,3)12-6-4-5-7-13(12)16-10-11-8-15-9-11/h4-7,11,15H,8-10H2,1-3H3
InChIKeyHVWSBTQNBDDTMP-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
3-[(2-tert-butylphenoxy)methyl]-1-methylpyrrolidine
CID 143793227
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetic acid
CID 59577070
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
3-[2-[2-(trifluoromethyl)phenoxy]ethyl]azetidine
CID 107391519
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-2-oxoacetamide
CID 70878278
(3R)-3-[(2-tert-butyl-4-chlorophenoxy)methyl]pyrrolidine
CID 86320408
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
CID 105484527

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(2-tert-butylphenoxy)methyl]azetidine (CID 59577199) is 3-[(2-tert-butylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(2-tert-butylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(2-tert-butylphenoxy)methyl]azetidine is CC(C)(C)c1ccccc1OCC1CNC1.
What is the InChIKey of 3-[(2-tert-butylphenoxy)methyl]azetidine?
The InChIKey is HVWSBTQNBDDTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)12-6-4-5-7-13(12)16-10-11-8-15-9-11/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 3-[(2-tert-butylphenoxy)methyl]azetidine?
3-[(2-tert-butylphenoxy)methyl]azetidine has a molecular weight of 219.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylphenoxy)methyl]azetidine is sourced from PubChem (CID 59577199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).