2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol

C12H17BrN2O — CID 102675205

IUPAC2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
SMILESCc1cc(N(CCO)C2CCC2)ncc1Br
InChIInChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3
InChIKeyZZFQGFOFZVWZFP-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.50
Rot. Bonds4

About 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol

2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol (PubChem CID 102675205) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
PubChem CID102675205
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol
SMILESCc1cc(N(CCO)C2CCC2)ncc1Br
InChIInChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3
InChIKeyZZFQGFOFZVWZFP-UHFFFAOYSA-N
XLogP2.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclohexyl-N-ethyl-4-methylpyridin-2-amine
CID 53410747
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
2-[cyclopropyl-(5-methyl-2-pyridinyl)amino]ethanol
CID 61146522
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N-(2-cyclohexylethyl)-N,4-dimethylpyridin-2-amine
CID 115147243

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol (CID 102675205) is 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol is Cc1cc(N(CCO)C2CCC2)ncc1Br.
What is the InChIKey of 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol?
The InChIKey is ZZFQGFOFZVWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-7-12(14-8-11(9)13)15(5-6-16)10-3-2-4-10/h7-8,10,16H,2-6H2,1H3.
What are the key properties of 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol?
2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol has a molecular weight of 285.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102675205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).