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

C13H13BrN2O — CID 55125081

IUPAC[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(Oc2ccnc(CN)c2)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-2-3-13(12(14)6-9)17-11-4-5-16-10(7-11)8-15/h2-7H,8,15H2,1H3
InChIKeyKZMXBTFTUDNLMA-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

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

[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine (PubChem CID 55125081) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
PubChem CID55125081
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1ccc(Oc2ccnc(CN)c2)c(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-2-3-13(12(14)6-9)17-11-4-5-16-10(7-11)8-15/h2-7H,8,15H2,1H3
InChIKeyKZMXBTFTUDNLMA-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-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
[4-(3-bromophenoxy)-2-pyridinyl]methanamine
CID 62322517
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine (CID 55125081) is [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine is Cc1ccc(Oc2ccnc(CN)c2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine?
The InChIKey is KZMXBTFTUDNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-2-3-13(12(14)6-9)17-11-4-5-16-10(7-11)8-15/h2-7H,8,15H2,1H3.
What are the key properties of [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine?
[4-(2-bromo-4-methylphenoxy)-2-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 [4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 55125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).