1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

C14H14BrFN2O — CID 106908545

IUPAC1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H14BrFN2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-7-10(16)5-6-13(14)15/h2-7,17H,8-9H2,1H3
InChIKeyVMDQVFGCSNEQBZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.28
Rot. Bonds5

About 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106908545) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106908545
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H14BrFN2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-7-10(16)5-6-13(14)15/h2-7,17H,8-9H2,1H3
InChIKeyVMDQVFGCSNEQBZ-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907979
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908714
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
1-[6-[(4-ethylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907968
6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239177
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (CID 106908545) is 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(COc2cc(F)ccc2Br)n1.
What is the InChIKey of 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is VMDQVFGCSNEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-17-8-11-3-2-4-12(18-11)9-19-14-7-10(16)5-6-13(14)15/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106908545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).