2-[(4-methoxyphenyl)methyl]azetidine

C11H15NO — CID 71756117

IUPAC2-[(4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CC2CCN2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)8-10-6-7-12-10/h2-5,10,12H,6-8H2,1H3
InChIKeyWLFCZZGVSCGEAL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.60
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]azetidine

2-[(4-methoxyphenyl)methyl]azetidine (PubChem CID 71756117) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]azetidine
PubChem CID71756117
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CC2CCN2)cc1
InChIInChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)8-10-6-7-12-10/h2-5,10,12H,6-8H2,1H3
InChIKeyWLFCZZGVSCGEAL-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 166471827
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
CID 116825348
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]azetidine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]azetidine (CID 71756117) is 2-[(4-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]azetidine is COc1ccc(CC2CCN2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]azetidine?
The InChIKey is WLFCZZGVSCGEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-4-2-9(3-5-11)8-10-6-7-12-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]azetidine?
2-[(4-methoxyphenyl)methyl]azetidine has a molecular weight of 177.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 71756117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).