[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine

C13H12BrFN2O — CID 81332068

IUPAC[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-9(6-16)7-17-13(8)18-12-4-10(14)3-11(15)5-12/h2-5,7H,6,16H2,1H3
InChIKeyAWWASDVBDQWMIG-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.54
Rot. Bonds3

About [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine

[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine (PubChem CID 81332068) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
PubChem CID81332068
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H12BrFN2O/c1-8-2-9(6-16)7-17-13(8)18-12-4-10(14)3-11(15)5-12/h2-5,7H,6,16H2,1H3
InChIKeyAWWASDVBDQWMIG-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81315137
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine (CID 81332068) is [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is AWWASDVBDQWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-2-9(6-16)7-17-13(8)18-12-4-10(14)3-11(15)5-12/h2-5,7H,6,16H2,1H3.
What are the key properties of [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine?
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 311.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 81332068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).