2-[(3-bromo-4-methoxyphenyl)methyl]azetidine

C11H14BrNO — CID 84708784

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CC2CCN2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-14-11-3-2-8(7-10(11)12)6-9-4-5-13-9/h2-3,7,9,13H,4-6H2,1H3
InChIKeyXXQAYSIJXRVACW-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.36
Rot. Bonds3

About 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine

2-[(3-bromo-4-methoxyphenyl)methyl]azetidine (PubChem CID 84708784) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
PubChem CID84708784
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
SMILESCOc1ccc(CC2CCN2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-14-11-3-2-8(7-10(11)12)6-9-4-5-13-9/h2-3,7,9,13H,4-6H2,1H3
InChIKeyXXQAYSIJXRVACW-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 79452527
2-[(3-bromo-4-chlorophenyl)methyl]azetidine
CID 84710243
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
2-bromo-4-[(3-bromocyclopentyl)methyl]-1-methoxybenzene
CID 64507816
4-[(3-bromo-4-methoxyphenyl)methyl]cyclohexan-1-one
CID 83262616
2-(3-bromo-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208373
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
1-bromo-3-[(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 64507177
2-[(3-bromo-4-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 81008346
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine (CID 84708784) is 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine is COc1ccc(CC2CCN2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine?
The InChIKey is XXQAYSIJXRVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-3-2-8(7-10(11)12)6-9-4-5-13-9/h2-3,7,9,13H,4-6H2,1H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine?
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine has a molecular weight of 256.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 84708784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).