3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C14H15BrN2O — CID 61418333

IUPAC3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ncccc1Br
InChIInChI=1S/C14H15BrN2O/c1-17(14-12(15)7-5-9-16-14)10-11-6-3-4-8-13(11)18-2/h3-9H,10H2,1-2H3
InChIKeyHJNYFEYIFYYLAE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.49
Rot. Bonds4

About 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine

3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 61418333) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID61418333
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1ccccc1CN(C)c1ncccc1Br
InChIInChI=1S/C14H15BrN2O/c1-17(14-12(15)7-5-9-16-14)10-11-6-3-4-8-13(11)18-2/h3-9H,10H2,1-2H3
InChIKeyHJNYFEYIFYYLAE-UHFFFAOYSA-N
XLogP3.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl-methylamino]pyrazine-2-carbothioamide
CID 62684959
N-[(2-methoxyphenyl)methyl]-N-methylthieno[2,3-c]pyridin-7-amine
CID 119050522
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
3-bromo-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 61428057
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478080
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 61418333) is 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1ccccc1CN(C)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is HJNYFEYIFYYLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17(14-12(15)7-5-9-16-14)10-11-6-3-4-8-13(11)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61418333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).