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

C13H13BrN2O — CID 113320455

IUPAC[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(Br)ccc1Oc1ccc(CN)nc1
InChIInChI=1S/C13H13BrN2O/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8H,7,15H2,1H3
InChIKeyAQEFZCNXFOOCAZ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

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

[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine (PubChem CID 113320455) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
PubChem CID113320455
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
SMILESCc1cc(Br)ccc1Oc1ccc(CN)nc1
InChIInChI=1S/C13H13BrN2O/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8H,7,15H2,1H3
InChIKeyAQEFZCNXFOOCAZ-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

[5-(4-bromo-2-chlorophenoxy)-2-pyridinyl]methanamine
CID 115487175
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
[5-(4-amino-2-methylphenoxy)-2-pyridinyl]methanol
CID 69490375
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
[5-(2-tert-butyl-5-methylphenoxy)-2-pyridinyl]methanamine
CID 115487166
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
6-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyridin-3-amine
CID 66616978
1-[5-(4-bromo-2-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83123632
[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]methanamine
CID 115487171
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 107284909

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine (CID 113320455) is [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine is Cc1cc(Br)ccc1Oc1ccc(CN)nc1.
What is the InChIKey of [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine?
The InChIKey is AQEFZCNXFOOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-6-10(14)2-5-13(9)17-12-4-3-11(7-15)16-8-12/h2-6,8H,7,15H2,1H3.
What are the key properties of [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine?
[5-(4-bromo-2-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 [5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 113320455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).