3-[(3-ethylphenoxy)methyl]azetidine

C12H17NO — CID 70653754

IUPAC3-[(3-ethylphenoxy)methyl]azetidine
SMILESCCc1cccc(OCC2CNC2)c1
InChIInChI=1S/C12H17NO/c1-2-10-4-3-5-12(6-10)14-9-11-7-13-8-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyUMPXIVGPCHVFNQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.85
Rot. Bonds4

About 3-[(3-ethylphenoxy)methyl]azetidine

3-[(3-ethylphenoxy)methyl]azetidine (PubChem CID 70653754) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-[(3-ethylphenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(3-ethylphenoxy)methyl]azetidine
PubChem CID70653754
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-[(3-ethylphenoxy)methyl]azetidine
SMILESCCc1cccc(OCC2CNC2)c1
InChIInChI=1S/C12H17NO/c1-2-10-4-3-5-12(6-10)14-9-11-7-13-8-11/h3-6,11,13H,2,7-9H2,1H3
InChIKeyUMPXIVGPCHVFNQ-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
3-[(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 86262193
4-[(3-ethylphenoxy)methyl]piperidin-4-ol
CID 81043219
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(3-bromophenoxy)methyl]pyrrolidine
CID 56830201
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenoxy)methyl]azetidine?
The IUPAC name of 3-[(3-ethylphenoxy)methyl]azetidine (CID 70653754) is 3-[(3-ethylphenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(3-ethylphenoxy)methyl]azetidine?
The canonical SMILES for 3-[(3-ethylphenoxy)methyl]azetidine is CCc1cccc(OCC2CNC2)c1.
What is the InChIKey of 3-[(3-ethylphenoxy)methyl]azetidine?
The InChIKey is UMPXIVGPCHVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-10-4-3-5-12(6-10)14-9-11-7-13-8-11/h3-6,11,13H,2,7-9H2,1H3.
What are the key properties of 3-[(3-ethylphenoxy)methyl]azetidine?
3-[(3-ethylphenoxy)methyl]azetidine has a molecular weight of 191.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylphenoxy)methyl]azetidine is sourced from PubChem (CID 70653754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).