3-(1,6-dibromonaphthalen-2-yl)oxyazetidine

C13H11Br2NO — CID 53409373

IUPAC3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
SMILESBrc1ccc2c(Br)c(OC3CNC3)ccc2c1
InChIInChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2
InChIKeyBGGSBCLNPCJKGD-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.72
Rot. Bonds2

About 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine

3-(1,6-dibromonaphthalen-2-yl)oxyazetidine (PubChem CID 53409373) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine.

Molecular Properties

Compound Name3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
PubChem CID53409373
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
SMILESBrc1ccc2c(Br)c(OC3CNC3)ccc2c1
InChIInChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2
InChIKeyBGGSBCLNPCJKGD-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylphenoxy)azetidine
CID 24902314
methyl (2S,4S)-4-(1,6-dibromonaphthalen-2-yl)oxypyrrolidine-2-carboxylate;hydrochloride
CID 56831327
3-(4-bromo-2-ethylphenoxy)azetidine
CID 53409294
4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]piperidine
CID 56830685
3-(4-bromo-2-phenylphenoxy)azetidine
CID 56777510
6-bromo-1-methyl-2-(4-methylcyclohexyl)oxynaphthalene
CID 123862980
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
3-(2,4-dibromophenoxy)pyrrolidine
CID 53409181
(2S,4S)-4-(1,6-dibromonaphthalen-2-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 56831326
(3S)-3-(4-bromo-2-methylphenoxy)piperidine
CID 26191633
3-[5-bromo-2-(3-fluorophenoxy)phenoxy]azetidine
CID 46215135
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenoxy]azetidine
CID 46215489

Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The IUPAC name of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine (CID 53409373) is 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine.
What is the SMILES notation for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The canonical SMILES for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine is Brc1ccc2c(Br)c(OC3CNC3)ccc2c1.
What is the InChIKey of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The InChIKey is BGGSBCLNPCJKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2.
What are the key properties of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine has a molecular weight of 357.05 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine is sourced from PubChem (CID 53409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).