[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine

C13H13BrN2O2 — CID 113443511

IUPAC[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
SMILESCOc1ccc(Oc2cnccc2CN)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-10-2-3-12(11(14)6-10)18-13-8-16-5-4-9(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyBZYMMAKGNQUOGX-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.10
Rot. Bonds4

About [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine

[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine (PubChem CID 113443511) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
PubChem CID113443511
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
SMILESCOc1ccc(Oc2cnccc2CN)c(Br)c1
InChIInChI=1S/C13H13BrN2O2/c1-17-10-2-3-12(11(14)6-10)18-13-8-16-5-4-9(13)7-15/h2-6,8H,7,15H2,1H3
InChIKeyBZYMMAKGNQUOGX-UHFFFAOYSA-N
XLogP3.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
(4-methoxy-2-pyridin-3-yloxyphenyl)methanamine
CID 81299641
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462

Frequently Asked Questions

What is the IUPAC name of [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine (CID 113443511) is [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine is COc1ccc(Oc2cnccc2CN)c(Br)c1.
What is the InChIKey of [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine?
The InChIKey is BZYMMAKGNQUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-10-2-3-12(11(14)6-10)18-13-8-16-5-4-9(13)7-15/h2-6,8H,7,15H2,1H3.
What are the key properties of [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine?
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine has a molecular weight of 309.16 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 113443511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).