2-(3-bromophenyl)-4-methylazetidine

C10H12BrN — CID 116822056

IUPAC2-(3-bromophenyl)-4-methylazetidine
SMILESCC1CC(c2cccc(Br)c2)N1
InChIInChI=1S/C10H12BrN/c1-7-5-10(12-7)8-3-2-4-9(11)6-8/h2-4,6-7,10,12H,5H2,1H3
InChIKeyLLJBJNYZLPRIOL-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.87
Rot. Bonds1

About 2-(3-bromophenyl)-4-methylazetidine

2-(3-bromophenyl)-4-methylazetidine (PubChem CID 116822056) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methylazetidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methylazetidine
PubChem CID116822056
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-(3-bromophenyl)-4-methylazetidine
SMILESCC1CC(c2cccc(Br)c2)N1
InChIInChI=1S/C10H12BrN/c1-7-5-10(12-7)8-3-2-4-9(11)6-8/h2-4,6-7,10,12H,5H2,1H3
InChIKeyLLJBJNYZLPRIOL-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-4-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

2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
3-(3-bromophenyl)-5-methylpiperidine
CID 82381656
2-(5-bromo-2-methylphenyl)-4-methylazetidine
CID 116822046
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
CID 53404881
3-(3-bromophenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66227087
2-(3-bromophenyl)imidazolidine
CID 57237390
(2R,4S,6R)-2-methyl-6-phenylpiperidin-4-ol
CID 15480231
(2S,4R,6S)-2-methyl-6-phenylpiperidin-4-ol
CID 82656257
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242
2-(3-bromophenyl)-5-methyl-1,4-oxazepane
CID 83188102
2-(3-bromophenyl)-4,4-difluoropyrrolidine
CID 84729618
(2R)-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 53375541

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methylazetidine?
The IUPAC name of 2-(3-bromophenyl)-4-methylazetidine (CID 116822056) is 2-(3-bromophenyl)-4-methylazetidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-methylazetidine?
The canonical SMILES for 2-(3-bromophenyl)-4-methylazetidine is CC1CC(c2cccc(Br)c2)N1.
What is the InChIKey of 2-(3-bromophenyl)-4-methylazetidine?
The InChIKey is LLJBJNYZLPRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-5-10(12-7)8-3-2-4-9(11)6-8/h2-4,6-7,10,12H,5H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methylazetidine?
2-(3-bromophenyl)-4-methylazetidine has a molecular weight of 226.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methylazetidine is sourced from PubChem (CID 116822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).