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

C14H15BrN2O — CID 63962800

IUPAC6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2cccc(Br)n2)c1
InChIInChI=1S/C14H15BrN2O/c1-17(14-8-4-7-13(15)16-14)10-11-5-3-6-12(9-11)18-2/h3-9H,10H2,1-2H3
InChIKeyDOQBYXJMBFDCJG-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.49
Rot. Bonds4

About 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine

6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 63962800) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID63962800
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2cccc(Br)n2)c1
InChIInChI=1S/C14H15BrN2O/c1-17(14-8-4-7-13(15)16-14)10-11-5-3-6-12(9-11)18-2/h3-9H,10H2,1-2H3
InChIKeyDOQBYXJMBFDCJG-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

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 63962800) is 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1cccc(CN(C)c2cccc(Br)n2)c1.
What is the InChIKey of 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is DOQBYXJMBFDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17(14-8-4-7-13(15)16-14)10-11-5-3-6-12(9-11)18-2/h3-9H,10H2,1-2H3.
What are the key properties of 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
6-bromo-N-[(3-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 6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 63962800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).