1-(2-bromo-5-methylphenyl)-3-methylazetidine

C11H14BrN — CID 82757161

IUPAC1-(2-bromo-5-methylphenyl)-3-methylazetidine
SMILESCc1ccc(Br)c(N2CC(C)C2)c1
InChIInChI=1S/C11H14BrN/c1-8-3-4-10(12)11(5-8)13-6-9(2)7-13/h3-5,9H,6-7H2,1-2H3
InChIKeyLBVMZLRLSLLJEH-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.21
Rot. Bonds1

About 1-(2-bromo-5-methylphenyl)-3-methylazetidine

1-(2-bromo-5-methylphenyl)-3-methylazetidine (PubChem CID 82757161) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-3-methylazetidine
PubChem CID82757161
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(2-bromo-5-methylphenyl)-3-methylazetidine
SMILESCc1ccc(Br)c(N2CC(C)C2)c1
InChIInChI=1S/C11H14BrN/c1-8-3-4-10(12)11(5-8)13-6-9(2)7-13/h3-5,9H,6-7H2,1-2H3
InChIKeyLBVMZLRLSLLJEH-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-methylphenyl)-3-methylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053
4-methyl-2-(3-methylazetidin-1-yl)aniline
CID 112557819
1-(2-bromo-5-methylphenyl)-3-methyl-1,4-diazepane
CID 82758192
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
1-(2-bromo-5-methylphenyl)-N-methylpiperidin-4-amine
CID 82757769
5-methyl-2-(3-methylazetidin-1-yl)benzoic acid
CID 79687790
3-bromo-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
CID 82758582
3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
CID 82756909
1-(2-bromo-5-methylphenyl)-5-cyclopropyl-2-methylpiperazine
CID 82758492
2-(3-tert-butylazetidin-1-yl)-4-methylaniline
CID 112557821
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
2-(2-bromo-5-methylphenyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512738

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylazetidine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-3-methylazetidine (CID 82757161) is 1-(2-bromo-5-methylphenyl)-3-methylazetidine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-3-methylazetidine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-3-methylazetidine is Cc1ccc(Br)c(N2CC(C)C2)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-3-methylazetidine?
The InChIKey is LBVMZLRLSLLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-3-4-10(12)11(5-8)13-6-9(2)7-13/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-3-methylazetidine?
1-(2-bromo-5-methylphenyl)-3-methylazetidine has a molecular weight of 240.14 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-3-methylazetidine is sourced from PubChem (CID 82757161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).