5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

C13H21BrN2O — CID 118420316

IUPAC5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nc(Br)ccc1OCC(C)CC(C)(C)N
InChIInChI=1S/C13H21BrN2O/c1-9(7-13(3,4)15)8-17-11-5-6-12(14)16-10(11)2/h5-6,9H,7-8,15H2,1-4H3
InChIKeyFUQGKFLQICGWCQ-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.29
Rot. Bonds5

About 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine

5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420316) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420316
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
SMILESCc1nc(Br)ccc1OCC(C)CC(C)(C)N
InChIInChI=1S/C13H21BrN2O/c1-9(7-13(3,4)15)8-17-11-5-6-12(14)16-10(11)2/h5-6,9H,7-8,15H2,1-4H3
InChIKeyFUQGKFLQICGWCQ-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420103
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118419790
5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419804
5-[2-chloro-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]-2,4-dimethylpentan-2-amine
CID 135282767
2-methyl-1-[[2-methyl-6-(2-methylpyrimidin-4-yl)-3-pyridinyl]oxy]propan-2-amine
CID 135284444
(4S)-5-[[2-(difluoromethyl)-6-pyrazolo[1,5-a]pyrimidin-7-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135284477
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118420541
(4S)-2,4,6,6-tetramethylheptan-2-amine
CID 167006603
6-bromo-2-methyl-3-propan-2-ylpyridine
CID 143746105
(4S)-5-[4-(5-chloro-2-fluoro-4-pyridinyl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135282218
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine (CID 118420316) is 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is Cc1nc(Br)ccc1OCC(C)CC(C)(C)N.
What is the InChIKey of 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is FUQGKFLQICGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-9(7-13(3,4)15)8-17-11-5-6-12(14)16-10(11)2/h5-6,9H,7-8,15H2,1-4H3.
What are the key properties of 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine?
5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 301.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).