2-bromo-4-methyl-6-pyrrolidin-1-ylphenol

C11H14BrNO — CID 168513520

IUPAC2-bromo-4-methyl-6-pyrrolidin-1-ylphenol
SMILESCc1cc(Br)c(O)c(N2CCCC2)c1
InChIInChI=1S/C11H14BrNO/c1-8-6-9(12)11(14)10(7-8)13-4-2-3-5-13/h6-7,14H,2-5H2,1H3
InChIKeyNQAFDTHZHCKTBN-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.06
Rot. Bonds1

About 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol

2-bromo-4-methyl-6-pyrrolidin-1-ylphenol (PubChem CID 168513520) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-bromo-4-methyl-6-pyrrolidin-1-ylphenol
PubChem CID168513520
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-4-methyl-6-pyrrolidin-1-ylphenol
SMILESCc1cc(Br)c(O)c(N2CCCC2)c1
InChIInChI=1S/C11H14BrNO/c1-8-6-9(12)11(14)10(7-8)13-4-2-3-5-13/h6-7,14H,2-5H2,1H3
InChIKeyNQAFDTHZHCKTBN-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
CID 102312654
2,4-dimethyl-6-pyrrolidin-1-ylaniline
CID 91671740
2,4-dimethyl-6-piperidin-1-ylaniline
CID 91671741
2-[4-(2-hydroxy-5-methylphenyl)-1,4-diazepan-1-yl]-4-methylphenol
CID 102342168
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
ethyl 2-hydroxy-4-methyl-6-pyrrolidin-1-ylbenzoate
CID 12596796
5-bromo-2-methyl-4-piperidin-1-ylpyridine
CID 19791137
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
4,15-dimethyl-1,8,11,18,21,27-hexazatetracyclo[16.6.6.12,6.113,17]dotriaconta-2,4,6(32),7,11,13(31),14,16-octaene-31,32-diol
CID 136671865
4-bromo-2-pyrrolidin-1-ylphenol
CID 84703170
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol?
The IUPAC name of 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol (CID 168513520) is 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol is Cc1cc(Br)c(O)c(N2CCCC2)c1.
What is the InChIKey of 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol?
The InChIKey is NQAFDTHZHCKTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-6-9(12)11(14)10(7-8)13-4-2-3-5-13/h6-7,14H,2-5H2,1H3.
What are the key properties of 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol?
2-bromo-4-methyl-6-pyrrolidin-1-ylphenol has a molecular weight of 256.14 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-pyrrolidin-1-ylphenol is sourced from PubChem (CID 168513520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).