2-(5-bromo-2-methylphenyl)-4-methylazetidine

C11H14BrN — CID 116822046

IUPAC2-(5-bromo-2-methylphenyl)-4-methylazetidine
SMILESCc1ccc(Br)cc1C1CC(C)N1
InChIInChI=1S/C11H14BrN/c1-7-3-4-9(12)6-10(7)11-5-8(2)13-11/h3-4,6,8,11,13H,5H2,1-2H3
InChIKeyLCIVLBDQMMRYNZ-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.18
Rot. Bonds1

About 2-(5-bromo-2-methylphenyl)-4-methylazetidine

2-(5-bromo-2-methylphenyl)-4-methylazetidine (PubChem CID 116822046) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-4-methylazetidine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-4-methylazetidine
PubChem CID116822046
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name2-(5-bromo-2-methylphenyl)-4-methylazetidine
SMILESCc1ccc(Br)cc1C1CC(C)N1
InChIInChI=1S/C11H14BrN/c1-7-3-4-9(12)6-10(7)11-5-8(2)13-11/h3-4,6,8,11,13H,5H2,1-2H3
InChIKeyLCIVLBDQMMRYNZ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
(2S,4S,6S)-2-methyl-6-(2-methylphenyl)piperidin-4-amine
CID 82659044
1-(1-amino-2-methylpropan-2-yl)-4-(5-bromo-2-methylphenyl)imidazolidin-2-one
CID 116978465
4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
CID 116963289
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
3-(5-bromo-2-fluorophenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 82973307
2-(5-bromo-2-methylphenyl)cyclopentan-1-one
CID 130040732
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-4-methylazetidine?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-4-methylazetidine (CID 116822046) is 2-(5-bromo-2-methylphenyl)-4-methylazetidine.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-4-methylazetidine?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-4-methylazetidine is Cc1ccc(Br)cc1C1CC(C)N1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-4-methylazetidine?
The InChIKey is LCIVLBDQMMRYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-7-3-4-9(12)6-10(7)11-5-8(2)13-11/h3-4,6,8,11,13H,5H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-4-methylazetidine?
2-(5-bromo-2-methylphenyl)-4-methylazetidine has a molecular weight of 240.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-4-methylazetidine is sourced from PubChem (CID 116822046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).