[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine

C13H12BrClN2O — CID 107285585

IUPAC[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESCc1ccc(Br)cc1Oc1cc(CN)c(Cl)cn1
InChIInChI=1S/C13H12BrClN2O/c1-8-2-3-10(14)5-12(8)18-13-4-9(6-16)11(15)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeyHHZQLIGXELCEAE-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.06
Rot. Bonds3

About [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine

[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine (PubChem CID 107285585) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
PubChem CID107285585
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
SMILESCc1ccc(Br)cc1Oc1cc(CN)c(Cl)cn1
InChIInChI=1S/C13H12BrClN2O/c1-8-2-3-10(14)5-12(8)18-13-4-9(6-16)11(15)7-17-13/h2-5,7H,6,16H2,1H3
InChIKeyHHZQLIGXELCEAE-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
[2-(5-bromo-2,3-difluorophenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107101094
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
2-(5-bromo-2-methylphenoxy)-3,5-dichloropyridine
CID 107284494
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine (CID 107285585) is [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine is Cc1ccc(Br)cc1Oc1cc(CN)c(Cl)cn1.
What is the InChIKey of [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine?
The InChIKey is HHZQLIGXELCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-2-3-10(14)5-12(8)18-13-4-9(6-16)11(15)7-17-13/h2-5,7H,6,16H2,1H3.
What are the key properties of [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine?
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine has a molecular weight of 327.61 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 107285585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).