3-[(2-phenylmethoxyphenoxy)methyl]azetidine

C17H19NO2 — CID 164512457

IUPAC3-[(2-phenylmethoxyphenoxy)methyl]azetidine
SMILESc1ccc(COc2ccccc2OCC2CNC2)cc1
InChIInChI=1S/C17H19NO2/c1-2-6-14(7-3-1)12-19-16-8-4-5-9-17(16)20-13-15-10-18-11-15/h1-9,15,18H,10-13H2
InChIKeyNEPSQDPAVBVDJE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.86
Rot. Bonds6

About 3-[(2-phenylmethoxyphenoxy)methyl]azetidine

3-[(2-phenylmethoxyphenoxy)methyl]azetidine (PubChem CID 164512457) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(2-phenylmethoxyphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(2-phenylmethoxyphenoxy)methyl]azetidine
PubChem CID164512457
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[(2-phenylmethoxyphenoxy)methyl]azetidine
SMILESc1ccc(COc2ccccc2OCC2CNC2)cc1
InChIInChI=1S/C17H19NO2/c1-2-6-14(7-3-1)12-19-16-8-4-5-9-17(16)20-13-15-10-18-11-15/h1-9,15,18H,10-13H2
InChIKeyNEPSQDPAVBVDJE-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
3-(5-chloro-2-phenylmethoxyphenoxy)azetidine
CID 58405156
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
CID 117231356
CID 67186434
CID 67186434
4-(azetidin-3-ylmethoxy)-2,3-dihydro-1H-isoindole
CID 115075810
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
CID 159672639
3-benzylazetidine;hydrochloride
CID 54592835

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylmethoxyphenoxy)methyl]azetidine?
The IUPAC name of 3-[(2-phenylmethoxyphenoxy)methyl]azetidine (CID 164512457) is 3-[(2-phenylmethoxyphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(2-phenylmethoxyphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(2-phenylmethoxyphenoxy)methyl]azetidine is c1ccc(COc2ccccc2OCC2CNC2)cc1.
What is the InChIKey of 3-[(2-phenylmethoxyphenoxy)methyl]azetidine?
The InChIKey is NEPSQDPAVBVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-6-14(7-3-1)12-19-16-8-4-5-9-17(16)20-13-15-10-18-11-15/h1-9,15,18H,10-13H2.
What are the key properties of 3-[(2-phenylmethoxyphenoxy)methyl]azetidine?
3-[(2-phenylmethoxyphenoxy)methyl]azetidine has a molecular weight of 269.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylmethoxyphenoxy)methyl]azetidine is sourced from PubChem (CID 164512457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).