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

C13H13BrN2O — CID 79239184

IUPAC6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H13BrN2O/c1-15-13-7-3-5-11(16-13)9-17-12-6-2-4-10(14)8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYLFMIEDFQGLFGY-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.46
Rot. Bonds4

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

6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 79239184) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID79239184
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(COc2cccc(Br)c2)n1
InChIInChI=1S/C13H13BrN2O/c1-15-13-7-3-5-11(16-13)9-17-12-6-2-4-10(14)8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyYLFMIEDFQGLFGY-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 79240035
6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 62886325
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 79232593
N-methyl-6-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 79239350
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
6-[(2-iodophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239369

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine (CID 79239184) is 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine is CNc1cccc(COc2cccc(Br)c2)n1.
What is the InChIKey of 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is YLFMIEDFQGLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-15-13-7-3-5-11(16-13)9-17-12-6-2-4-10(14)8-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine?
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 293.16 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79239184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).