3-(5-bromo-2-methylphenyl)pyrrolidine

C11H14BrN — CID 82388123

IUPAC3-(5-bromo-2-methylphenyl)pyrrolidine
SMILESCc1ccc(Br)cc1C1CCNC1
InChIInChI=1S/C11H14BrN/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyAEFYXAMHIFTNMB-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.83
Rot. Bonds1

About 3-(5-bromo-2-methylphenyl)pyrrolidine

3-(5-bromo-2-methylphenyl)pyrrolidine (PubChem CID 82388123) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(5-bromo-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-bromo-2-methylphenyl)pyrrolidine
PubChem CID82388123
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(5-bromo-2-methylphenyl)pyrrolidine
SMILESCc1ccc(Br)cc1C1CCNC1
InChIInChI=1S/C11H14BrN/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyAEFYXAMHIFTNMB-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(5-bromo-2-methylphenyl)pyrrolidine 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

3-(5-bromo-2-methylsulfanylphenyl)pyrrolidine
CID 84713327
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
CID 169498179
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
4-bromo-10-azatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
CID 11345749
4-(5-bromo-2-methylphenyl)cyclohexan-1-ol
CID 116963289
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methylphenyl)pyrrolidine?
The IUPAC name of 3-(5-bromo-2-methylphenyl)pyrrolidine (CID 82388123) is 3-(5-bromo-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-bromo-2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-bromo-2-methylphenyl)pyrrolidine is Cc1ccc(Br)cc1C1CCNC1.
What is the InChIKey of 3-(5-bromo-2-methylphenyl)pyrrolidine?
The InChIKey is AEFYXAMHIFTNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of 3-(5-bromo-2-methylphenyl)pyrrolidine?
3-(5-bromo-2-methylphenyl)pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 82388123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).