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

C13H13BrN2O — CID 83134094

IUPAC[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
SMILESCc1cc(Oc2cc(CN)ccn2)ccc1Br
InChIInChI=1S/C13H13BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,8,15H2,1H3
InChIKeyVFWHQVXXXLXLHC-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

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

[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine (PubChem CID 83134094) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
PubChem CID83134094
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
SMILESCc1cc(Oc2cc(CN)ccn2)ccc1Br
InChIInChI=1S/C13H13BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,8,15H2,1H3
InChIKeyVFWHQVXXXLXLHC-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methanamine
CID 83135138
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
CID 83134736
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
3-(4-bromo-3-methylphenoxy)propan-1-amine
CID 83133338
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 83134197
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine (CID 83134094) is [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine is Cc1cc(Oc2cc(CN)ccn2)ccc1Br.
What is the InChIKey of [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is VFWHQVXXXLXLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-6-11(2-3-12(9)14)17-13-7-10(8-15)4-5-16-13/h2-7H,8,15H2,1H3.
What are the key properties of [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine?
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 293.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 83134094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).