1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol

C13H21BrN2O — CID 113456069

IUPAC1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-10(2)6-16-9-13(3,17)5-11-4-12(14)8-15-7-11/h4,7-8,10,16-17H,5-6,9H2,1-3H3
InChIKeyFBDMZQWMNMMWDL-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.38
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol

1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113456069) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
PubChem CID113456069
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2O/c1-10(2)6-16-9-13(3,17)5-11-4-12(14)8-15-7-11/h4,7-8,10,16-17H,5-6,9H2,1-3H3
InChIKeyFBDMZQWMNMMWDL-UHFFFAOYSA-N
XLogP2.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)methylamino]-2,4-dimethylpentan-2-ol
CID 104797006
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 104801282
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 104798210
2-[(5-bromo-3-pyridinyl)methyl]-N,2-diethylbutan-1-amine
CID 113455824
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 104810652

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol (CID 113456069) is 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(C)(O)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is FBDMZQWMNMMWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-10(2)6-16-9-13(3,17)5-11-4-12(14)8-15-7-11/h4,7-8,10,16-17H,5-6,9H2,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol?
1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 301.23 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113456069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).