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

C13H19BrF2N2O — CID 118419804

IUPAC5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1cnc(Br)cc1C(F)F)CC(C)(C)N
InChIInChI=1S/C13H19BrF2N2O/c1-8(5-13(2,3)17)7-19-10-6-18-11(14)4-9(10)12(15)16/h4,6,8,12H,5,7,17H2,1-3H3
InChIKeyBEPAHGWSQMLXFF-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.92
Rot. Bonds6

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

5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118419804) has the molecular formula C13H19BrF2N2O and a molecular weight of 337.21 g/mol. Its IUPAC name is 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118419804
Molecular FormulaC13H19BrF2N2O
Molecular Weight337.21 g/mol
Exact Mass336.06
IUPAC Name5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1cnc(Br)cc1C(F)F)CC(C)(C)N
InChIInChI=1S/C13H19BrF2N2O/c1-8(5-13(2,3)17)7-19-10-6-18-11(14)4-9(10)12(15)16/h4,6,8,12H,5,7,17H2,1-3H3
InChIKeyBEPAHGWSQMLXFF-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.92
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

(4S)-5-[[6-(2-chloro-5-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282879
2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
CID 151033657
2-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324707
5-[(6-chloro-4-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118419790
5-[(6-bromo-2-methyl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 118420316
5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118419876
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
(4S)-5-[[5-[2-(difluoromethyl)-4-pyridinyl]-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282104
4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine
CID 123426123

Frequently Asked Questions

What is the IUPAC name of 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118419804) is 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is CC(COc1cnc(Br)cc1C(F)F)CC(C)(C)N.
What is the InChIKey of 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is BEPAHGWSQMLXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrF2N2O/c1-8(5-13(2,3)17)7-19-10-6-18-11(14)4-9(10)12(15)16/h4,6,8,12H,5,7,17H2,1-3H3.
What are the key properties of 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 337.21 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118419804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).