3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine

C16H15Br2N — CID 79460228

IUPAC3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine
SMILESBrc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1
InChIInChI=1S/C16H15Br2N/c17-14-6-4-12(5-7-14)9-16(10-19-11-16)13-2-1-3-15(18)8-13/h1-8,19H,9-11H2
InChIKeyGHCCRFSABUGOFM-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.30
Rot. Bonds3

About 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine

3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine (PubChem CID 79460228) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine
PubChem CID79460228
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine
SMILESBrc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1
InChIInChI=1S/C16H15Br2N/c17-14-6-4-12(5-7-14)9-16(10-19-11-16)13-2-1-3-15(18)8-13/h1-8,19H,9-11H2
InChIKeyGHCCRFSABUGOFM-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79461032
4-[[3-(3-bromophenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 79459846
5-[[3-(3-bromophenyl)azetidin-3-yl]methyl]-1,3-diethylpyrazole
CID 79460828
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(3-bromophenyl)methyl]-3-ethylazetidine
CID 79451956
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
CID 79460617
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine?
The IUPAC name of 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine (CID 79460228) is 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine.
What is the SMILES notation for 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine?
The canonical SMILES for 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine is Brc1ccc(CC2(c3cccc(Br)c3)CNC2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine?
The InChIKey is GHCCRFSABUGOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-14-6-4-12(5-7-14)9-16(10-19-11-16)13-2-1-3-15(18)8-13/h1-8,19H,9-11H2.
What are the key properties of 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine?
3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine has a molecular weight of 381.11 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine is sourced from PubChem (CID 79460228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).