2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine

C16H24BrN — CID 105411975

IUPAC2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(CC2(CC(C)C)CCCN2)cc1Br
InChIInChI=1S/C16H24BrN/c1-12(2)10-16(7-4-8-18-16)11-14-6-5-13(3)15(17)9-14/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIZQXORBUEPRTDQ-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.47
Rot. Bonds4

About 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine

2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine (PubChem CID 105411975) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
PubChem CID105411975
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
SMILESCc1ccc(CC2(CC(C)C)CCCN2)cc1Br
InChIInChI=1S/C16H24BrN/c1-12(2)10-16(7-4-8-18-16)11-14-6-5-13(3)15(17)9-14/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3
InChIKeyIZQXORBUEPRTDQ-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-ethylpyrrolidine
CID 105411973
2-[(3,4-difluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 82922545
2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688440
2-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 66467441
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(2-methylpropyl)pyrrolidine
CID 104688384
2-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperidine
CID 115059003
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-[(3-chloro-4-methylphenyl)methyl]-2-ethylpyrrolidine
CID 106819392
1-[4-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]phenyl]pyrazole
CID 104688365
2-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688427
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine (CID 105411975) is 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine is Cc1ccc(CC2(CC(C)C)CCCN2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
The InChIKey is IZQXORBUEPRTDQ-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)15(17)9-14/h5-6,9,12,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine?
2-[(3-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-[(3-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 105411975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).