3-(2-bromo-6-methylphenyl)pyrrolidine

C11H14BrN — CID 117103930

IUPAC3-(2-bromo-6-methylphenyl)pyrrolidine
SMILESCc1cccc(Br)c1C1CCNC1
InChIInChI=1S/C11H14BrN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyACJJSIMGZRQBEX-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.83
Rot. Bonds1

About 3-(2-bromo-6-methylphenyl)pyrrolidine

3-(2-bromo-6-methylphenyl)pyrrolidine (PubChem CID 117103930) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(2-bromo-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-bromo-6-methylphenyl)pyrrolidine
PubChem CID117103930
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(2-bromo-6-methylphenyl)pyrrolidine
SMILESCc1cccc(Br)c1C1CCNC1
InChIInChI=1S/C11H14BrN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyACJJSIMGZRQBEX-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

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Related Compounds

(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-bromo-2-pyrrolidin-3-ylaniline
CID 117103675
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
CID 84702437
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methylphenyl)pyrrolidine?
The IUPAC name of 3-(2-bromo-6-methylphenyl)pyrrolidine (CID 117103930) is 3-(2-bromo-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-bromo-6-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-bromo-6-methylphenyl)pyrrolidine is Cc1cccc(Br)c1C1CCNC1.
What is the InChIKey of 3-(2-bromo-6-methylphenyl)pyrrolidine?
The InChIKey is ACJJSIMGZRQBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of 3-(2-bromo-6-methylphenyl)pyrrolidine?
3-(2-bromo-6-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-(2-bromo-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 117103930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).