3-(3-methylphenoxy)azetidine

C10H13NO — CID 24902326

IUPAC3-(3-methylphenoxy)azetidine
SMILESCc1cccc(OC2CNC2)c1
InChIInChI=1S/C10H13NO/c1-8-3-2-4-9(5-8)12-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyJBYYBRKRSBFVSE-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.35
Rot. Bonds2

About 3-(3-methylphenoxy)azetidine

3-(3-methylphenoxy)azetidine (PubChem CID 24902326) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(3-methylphenoxy)azetidine.

Molecular Properties

Compound Name3-(3-methylphenoxy)azetidine
PubChem CID24902326
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-(3-methylphenoxy)azetidine
SMILESCc1cccc(OC2CNC2)c1
InChIInChI=1S/C10H13NO/c1-8-3-2-4-9(5-8)12-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyJBYYBRKRSBFVSE-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(S)-Toliprolol
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Fluzinamide
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N-methyl-2-naphthalen-1-yloxyethanamine
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1-(3-Isopropoxyphenyl)methanamine
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(3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine
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N,N-diethyl-2-(3-isopropylphenoxy)ethanamine
CID 869467
2-(2,3-dimethylphenoxy)-N-methylethanamine
CID 10654938
(E)-3-fluoro-4-[3-(trifluoromethyl)phenoxy]but-2-en-1-amine
CID 42624097
2-(4-Methylphenoxy)ethanamine
CID 2106895

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)azetidine?
The IUPAC name of 3-(3-methylphenoxy)azetidine (CID 24902326) is 3-(3-methylphenoxy)azetidine.
What is the SMILES notation for 3-(3-methylphenoxy)azetidine?
The canonical SMILES for 3-(3-methylphenoxy)azetidine is Cc1cccc(OC2CNC2)c1.
What is the InChIKey of 3-(3-methylphenoxy)azetidine?
The InChIKey is JBYYBRKRSBFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-3-2-4-9(5-8)12-10-6-11-7-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 3-(3-methylphenoxy)azetidine?
3-(3-methylphenoxy)azetidine has a molecular weight of 163.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)azetidine is sourced from PubChem (CID 24902326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).