1-[(3-bromophenyl)methyl]-3-methoxyazetidine

C11H14BrNO — CID 130548246

IUPAC1-[(3-bromophenyl)methyl]-3-methoxyazetidine
SMILESCOC1CN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO/c1-14-11-7-13(8-11)6-9-3-2-4-10(12)5-9/h2-5,11H,6-8H2,1H3
InChIKeyXADHFEMWJOMKPC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.28
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-3-methoxyazetidine

1-[(3-bromophenyl)methyl]-3-methoxyazetidine (PubChem CID 130548246) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-methoxyazetidine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-methoxyazetidine
PubChem CID130548246
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[(3-bromophenyl)methyl]-3-methoxyazetidine
SMILESCOC1CN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO/c1-14-11-7-13(8-11)6-9-3-2-4-10(12)5-9/h2-5,11H,6-8H2,1H3
InChIKeyXADHFEMWJOMKPC-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
3-[(3-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 115009427
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
1-[(3-bromophenyl)methyl]-3-chloropyrrolidine
CID 63387822
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859026
4-[(3-bromophenyl)methyl]-2-ethylthiomorpholine
CID 115666563
1-[(3-bromophenyl)methyl]-3-ethylpiperidin-4-one
CID 114508762
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
CID 79822600

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-methoxyazetidine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-methoxyazetidine (CID 130548246) is 1-[(3-bromophenyl)methyl]-3-methoxyazetidine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-methoxyazetidine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-methoxyazetidine is COC1CN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-methoxyazetidine?
The InChIKey is XADHFEMWJOMKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-7-13(8-11)6-9-3-2-4-10(12)5-9/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-3-methoxyazetidine?
1-[(3-bromophenyl)methyl]-3-methoxyazetidine has a molecular weight of 256.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-methoxyazetidine is sourced from PubChem (CID 130548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).