3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine

C18H20BrNO — CID 79460359

IUPAC3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCOc1ccc(Br)cc1CC1(c2ccccc2C)CNC1
InChIInChI=1S/C18H20BrNO/c1-13-5-3-4-6-16(13)18(11-20-12-18)10-14-9-15(19)7-8-17(14)21-2/h3-9,20H,10-12H2,1-2H3
InChIKeyCVKJAROLTLZMOE-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.85
Rot. Bonds4

About 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine

3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine (PubChem CID 79460359) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine
PubChem CID79460359
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine
SMILESCOc1ccc(Br)cc1CC1(c2ccccc2C)CNC1
InChIInChI=1S/C18H20BrNO/c1-13-5-3-4-6-16(13)18(11-20-12-18)10-14-9-15(19)7-8-17(14)21-2/h3-9,20H,10-12H2,1-2H3
InChIKeyCVKJAROLTLZMOE-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460160
3-[(2,5-dimethylphenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460651
3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine
CID 79460230
3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 6981994
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
3-(2-fluorophenyl)-3-[(2-methylphenyl)methyl]azetidine
CID 79460505
3-chloro-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79459681
(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
CID 55500944
4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
CID 79419172

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine (CID 79460359) is 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine is COc1ccc(Br)cc1CC1(c2ccccc2C)CNC1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine?
The InChIKey is CVKJAROLTLZMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13-5-3-4-6-16(13)18(11-20-12-18)10-14-9-15(19)7-8-17(14)21-2/h3-9,20H,10-12H2,1-2H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine?
3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine has a molecular weight of 346.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine is sourced from PubChem (CID 79460359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).