2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine

C16H24BrN — CID 104688440

IUPAC2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(CC2(CC(C)C)CCCN2)c(Br)c1
InChIInChI=1S/C16H24BrN/c1-12(2)10-16(7-4-8-18-16)11-14-6-5-13(3)9-15(14)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyXBXFOUUUPRBYIM-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.47
Rot. Bonds4

About 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine

2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine (PubChem CID 104688440) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
PubChem CID104688440
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(CC2(CC(C)C)CCCN2)c(Br)c1
InChIInChI=1S/C16H24BrN/c1-12(2)10-16(7-4-8-18-16)11-14-6-5-13(3)9-15(14)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyXBXFOUUUPRBYIM-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 105411975
2-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688427
2-[[2-(2-methylpropyl)piperidin-2-yl]methyl]phenol
CID 115058920
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 106870628
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
CID 115059003
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
CID 104688384
2-[(2-bromophenyl)methyl]-2-ethylpiperidine
CID 115058886
2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
CID 66468119

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine (CID 104688440) is 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine is Cc1ccc(CC2(CC(C)C)CCCN2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The InChIKey is XBXFOUUUPRBYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12(2)10-16(7-4-8-18-16)11-14-6-5-13(3)9-15(14)17/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine has a molecular weight of 310.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 104688440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).