3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine

C16H15BrClN — CID 79459620

IUPAC3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2(Cc3ccccc3Br)CNC2)c1
InChIInChI=1S/C16H15BrClN/c17-15-7-2-1-4-12(15)9-16(10-19-11-16)13-5-3-6-14(18)8-13/h1-8,19H,9-11H2
InChIKeyZHMWLKBKTMRXTB-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.19
Rot. Bonds3

About 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine

3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine (PubChem CID 79459620) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
PubChem CID79459620
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
SMILESClc1cccc(C2(Cc3ccccc3Br)CNC2)c1
InChIInChI=1S/C16H15BrClN/c17-15-7-2-1-4-12(15)9-16(10-19-11-16)13-5-3-6-14(18)8-13/h1-8,19H,9-11H2
InChIKeyZHMWLKBKTMRXTB-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-[2-(3-bromophenoxy)ethyl]-3-(3-chlorophenyl)azetidine
CID 79459725
2-[3-(3-chlorophenyl)azepan-3-yl]ethanol
CID 19418633
3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine
CID 79460228
3-(2-tert-butylsulfonylethyl)-3-(3-chlorophenyl)azetidine
CID 106735006
3-(3-chlorophenyl)-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142953

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine (CID 79459620) is 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine is Clc1cccc(C2(Cc3ccccc3Br)CNC2)c1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine?
The InChIKey is ZHMWLKBKTMRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-15-7-2-1-4-12(15)9-16(10-19-11-16)13-5-3-6-14(18)8-13/h1-8,19H,9-11H2.
What are the key properties of 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine?
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine has a molecular weight of 336.66 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine is sourced from PubChem (CID 79459620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).