2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol

C12H15Br2NO — CID 107740241

IUPAC2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
SMILESCC1CCCN1Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-8-3-2-4-15(8)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,2-4,7H2,1H3
InChIKeyTZTUDBZHQWLSQL-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.90
Rot. Bonds2

About 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol

2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol (PubChem CID 107740241) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
PubChem CID107740241
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC Name2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
SMILESCC1CCCN1Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H15Br2NO/c1-8-3-2-4-15(8)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,2-4,7H2,1H3
InChIKeyTZTUDBZHQWLSQL-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
2,6-dibromo-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenol
CID 107740382
2,6-ditert-butyl-4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 7444975
2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
CID 82986221
(2R)-1-[(2-bromo-4,5-difluorophenyl)methyl]-2-methylpyrrolidine
CID 124562663
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768697
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
[3-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 79710639
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 112553673
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol (CID 107740241) is 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol is CC1CCCN1Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is TZTUDBZHQWLSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c1-8-3-2-4-15(8)7-9-5-10(13)12(16)11(14)6-9/h5-6,8,16H,2-4,7H2,1H3.
What are the key properties of 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol?
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 349.07 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 107740241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).