3-(4-methoxyphenyl)-1-methylazetidine

C11H15NO — CID 134399978

IUPAC3-(4-methoxyphenyl)-1-methylazetidine
SMILESCOc1ccc(C2CN(C)C2)cc1
InChIInChI=1S/C11H15NO/c1-12-7-10(8-12)9-3-5-11(13-2)6-4-9/h3-6,10H,7-8H2,1-2H3
InChIKeyOCCUGFYLTQXWEX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.72
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methylazetidine

3-(4-methoxyphenyl)-1-methylazetidine (PubChem CID 134399978) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylazetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylazetidine
PubChem CID134399978
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(4-methoxyphenyl)-1-methylazetidine
SMILESCOc1ccc(C2CN(C)C2)cc1
InChIInChI=1S/C11H15NO/c1-12-7-10(8-12)9-3-5-11(13-2)6-4-9/h3-6,10H,7-8H2,1-2H3
InChIKeyOCCUGFYLTQXWEX-UHFFFAOYSA-N
XLogP1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(S)-Venlafaxine
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Venlafaxine N-Oxide
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Amotriphene
CID 11283
Venlafaxine, (R)-
CID 9795623
2-(4-Methoxyphenyl)cyclopropanamine
CID 3082143
4-Isopropylanisole
CID 77783
1-[2-(4-Methoxyphenyl)ethyl]pyrrolidine
CID 17805318
(S)-3-(3-Methoxy-phenyl)-1-propyl-piperidine
CID 12937927

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methylazetidine?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylazetidine (CID 134399978) is 3-(4-methoxyphenyl)-1-methylazetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylazetidine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylazetidine is COc1ccc(C2CN(C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylazetidine?
The InChIKey is OCCUGFYLTQXWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-7-10(8-12)9-3-5-11(13-2)6-4-9/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methylazetidine?
3-(4-methoxyphenyl)-1-methylazetidine has a molecular weight of 177.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methylazetidine is sourced from PubChem (CID 134399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).