3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine

C12H16BrNO — CID 107391807

IUPAC3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine
SMILESBrc1cccc(COCCC2CNC2)c1
InChIInChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)9-15-5-4-11-7-14-8-11/h1-3,6,11,14H,4-5,7-9H2
InChIKeyAOUUJKXZIAGCOG-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.58
Rot. Bonds5

About 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine

3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine (PubChem CID 107391807) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine.

Molecular Properties

Compound Name3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine
PubChem CID107391807
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine
SMILESBrc1cccc(COCCC2CNC2)c1
InChIInChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)9-15-5-4-11-7-14-8-11/h1-3,6,11,14H,4-5,7-9H2
InChIKeyAOUUJKXZIAGCOG-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
3-[(3-bromophenyl)methyl]azetidine;hydrochloride
CID 137347061
(3-bromophenyl)methyl 2-(azetidin-3-yl)acetate
CID 82824071
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-bromo-3-(3-chloropropoxymethyl)benzene
CID 82828412
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
4-[(3-bromophenyl)methoxy]butane-1-thiol
CID 82826547
1-bromo-3-(5-bromopentoxymethyl)benzene
CID 82828091
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine?
The IUPAC name of 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine (CID 107391807) is 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine.
What is the SMILES notation for 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine?
The canonical SMILES for 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine is Brc1cccc(COCCC2CNC2)c1.
What is the InChIKey of 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine?
The InChIKey is AOUUJKXZIAGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-3-1-2-10(6-12)9-15-5-4-11-7-14-8-11/h1-3,6,11,14H,4-5,7-9H2.
What are the key properties of 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine?
3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine has a molecular weight of 270.17 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-bromophenyl)methoxy]ethyl]azetidine is sourced from PubChem (CID 107391807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).