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

C17H18BrNO — CID 79459633

IUPAC3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
SMILESCOc1cccc(CC2(c3ccc(Br)cc3)CNC2)c1
InChIInChI=1S/C17H18BrNO/c1-20-16-4-2-3-13(9-16)10-17(11-19-12-17)14-5-7-15(18)8-6-14/h2-9,19H,10-12H2,1H3
InChIKeyFTUVWOSIORNKDT-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.54
Rot. Bonds4

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

3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine (PubChem CID 79459633) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
PubChem CID79459633
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine
SMILESCOc1cccc(CC2(c3ccc(Br)cc3)CNC2)c1
InChIInChI=1S/C17H18BrNO/c1-20-16-4-2-3-13(9-16)10-17(11-19-12-17)14-5-7-15(18)8-6-14/h2-9,19H,10-12H2,1H3
InChIKeyFTUVWOSIORNKDT-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
CID 79451365
3-(3-bromophenyl)-3-[(4-bromophenyl)methyl]azetidine
CID 79460228
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
3-[(3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 63140807
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
4-fluoro-4-[(3-methoxyphenyl)methyl]azepane
CID 113361771
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine?
The IUPAC name of 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine (CID 79459633) is 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine is COc1cccc(CC2(c3ccc(Br)cc3)CNC2)c1.
What is the InChIKey of 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine?
The InChIKey is FTUVWOSIORNKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-20-16-4-2-3-13(9-16)10-17(11-19-12-17)14-5-7-15(18)8-6-14/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine?
3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine has a molecular weight of 332.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-[(3-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 79459633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).