2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol

C11H17BrN2O — CID 64550786

IUPAC2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-3-11(2,8-15)14-7-10-5-4-9(12)6-13-10/h4-6,14-15H,3,7-8H2,1-2H3
InChIKeyBUFDDJQJYRNBKI-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.09
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol

2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol (PubChem CID 64550786) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol
PubChem CID64550786
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-3-11(2,8-15)14-7-10-5-4-9(12)6-13-10/h4-6,14-15H,3,7-8H2,1-2H3
InChIKeyBUFDDJQJYRNBKI-UHFFFAOYSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-pyridinyl)methylamino]-2,2,3-trimethylbutanoic acid
CID 104800425
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
1-(5-bromo-2-pyridinyl)-3,3-dimethylpentan-2-one
CID 115801075
6-[[2-(4-bromophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79784008
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2-methyl-2-[(2-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 111440131
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819078
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
CID 104809617
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol (CID 64550786) is 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol?
The InChIKey is BUFDDJQJYRNBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-3-11(2,8-15)14-7-10-5-4-9(12)6-13-10/h4-6,14-15H,3,7-8H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol?
2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 64550786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).