1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H13BrN2O — CID 55058512

IUPAC1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C13H13BrN2O/c1-15-8-10-5-6-13(16-9-10)17-12-4-2-3-11(14)7-12/h2-7,9,15H,8H2,1H3
InChIKeyNKYVMZKMOHSSTN-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.36
Rot. Bonds4

About 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 55058512) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID55058512
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C13H13BrN2O/c1-15-8-10-5-6-13(16-9-10)17-12-4-2-3-11(14)7-12/h2-7,9,15H,8H2,1H3
InChIKeyNKYVMZKMOHSSTN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
N-methyl-1-[6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 55058692
N-methyl-1-[6-(3-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633675
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
1-[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62298293
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
1-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62295879
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 55058512) is 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NKYVMZKMOHSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-15-8-10-5-6-13(16-9-10)17-12-4-2-3-11(14)7-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 293.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 55058512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).