6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine

C13H13BrN2O — CID 167449160

IUPAC6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine
SMILESCNc1ccc(OCc2ccccc2)c(Br)n1
InChIInChI=1S/C13H13BrN2O/c1-15-12-8-7-11(13(14)16-12)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyODGOFOCTEIQBPE-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.46
Rot. Bonds4

About 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine

6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine (PubChem CID 167449160) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine
PubChem CID167449160
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine
SMILESCNc1ccc(OCc2ccccc2)c(Br)n1
InChIInChI=1S/C13H13BrN2O/c1-15-12-8-7-11(13(14)16-12)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16)
InChIKeyODGOFOCTEIQBPE-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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682
5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 55044923
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
2-methyl-5-phenylmethoxypyrimidin-4-amine
CID 91812202
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine?
The IUPAC name of 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine (CID 167449160) is 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine?
The canonical SMILES for 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine is CNc1ccc(OCc2ccccc2)c(Br)n1.
What is the InChIKey of 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine?
The InChIKey is ODGOFOCTEIQBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-15-12-8-7-11(13(14)16-12)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine?
6-bromo-N-methyl-5-phenylmethoxypyridin-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-bromo-N-methyl-5-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 167449160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).