5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine

C14H17BrN2O — CID 103915139

IUPAC5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cc(C(C)Nc2ccc(Br)c(C)n2)c(C)o1
InChIInChI=1S/C14H17BrN2O/c1-8-7-12(11(4)18-8)9(2)16-14-6-5-13(15)10(3)17-14/h5-7,9H,1-4H3,(H,16,17)
InChIKeyWQVSHWAONSVIMZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.54
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine (PubChem CID 103915139) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
PubChem CID103915139
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cc(C(C)Nc2ccc(Br)c(C)n2)c(C)o1
InChIInChI=1S/C14H17BrN2O/c1-8-7-12(11(4)18-8)9(2)16-14-6-5-13(15)10(3)17-14/h5-7,9H,1-4H3,(H,16,17)
InChIKeyWQVSHWAONSVIMZ-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511628
2-bromo-4-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzonitrile
CID 107276207
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
5-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 63478098
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80792924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine (CID 103915139) is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine is Cc1cc(C(C)Nc2ccc(Br)c(C)n2)c(C)o1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine?
The InChIKey is WQVSHWAONSVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8-7-12(11(4)18-8)9(2)16-14-6-5-13(15)10(3)17-14/h5-7,9H,1-4H3,(H,16,17).
What are the key properties of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine?
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 103915139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).