5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine

C16H19BrN2O — CID 115148274

IUPAC5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine
SMILESCOc1cc(C)cc(C)c1CNc1ccc(Br)c(C)n1
InChIInChI=1S/C16H19BrN2O/c1-10-7-11(2)13(15(8-10)20-4)9-18-16-6-5-14(17)12(3)19-16/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyNHLIQMMBKRZLLK-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.39
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine

5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine (PubChem CID 115148274) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine
PubChem CID115148274
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine
SMILESCOc1cc(C)cc(C)c1CNc1ccc(Br)c(C)n1
InChIInChI=1S/C16H19BrN2O/c1-10-7-11(2)13(15(8-10)20-4)9-18-16-6-5-14(17)12(3)19-16/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyNHLIQMMBKRZLLK-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142939
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
5-bromo-6-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
CID 133451900
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763
5-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115148277
2-cyclopropyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 133297559
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine (CID 115148274) is 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine is COc1cc(C)cc(C)c1CNc1ccc(Br)c(C)n1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine?
The InChIKey is NHLIQMMBKRZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-7-11(2)13(15(8-10)20-4)9-18-16-6-5-14(17)12(3)19-16/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine?
5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 115148274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).