[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine

C13H12BrFN2O — CID 83235153

IUPAC[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2ccc(F)c(Br)c2)c(CN)cn1
InChIInChI=1S/C13H12BrFN2O/c1-8-4-13(9(6-16)7-17-8)18-10-2-3-12(15)11(14)5-10/h2-5,7H,6,16H2,1H3
InChIKeyPBXRVSPQIORQIQ-UHFFFAOYSA-N
MW311.15 g/mol
LogP3.54
Rot. Bonds3

About [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine

[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine (PubChem CID 83235153) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
PubChem CID83235153
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine
SMILESCc1cc(Oc2ccc(F)c(Br)c2)c(CN)cn1
InChIInChI=1S/C13H12BrFN2O/c1-8-4-13(9(6-16)7-17-8)18-10-2-3-12(15)11(14)5-10/h2-5,7H,6,16H2,1H3
InChIKeyPBXRVSPQIORQIQ-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-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578
[6-methyl-4-(4-methylsulfanylphenoxy)-3-pyridinyl]methanamine
CID 81250178
[4-(2,5-dibromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81251048
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597
[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81255400
[6-methyl-4-(3-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81251268
3-[[5-(aminomethyl)-2-methyl-4-pyridinyl]oxy]-N,N-dimethylaniline
CID 81251021
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248
(4-ethoxy-6-methyl-3-pyridinyl)methanamine
CID 81255491
4-(3-bromo-4-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 83232543

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The IUPAC name of [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine (CID 83235153) is [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine is Cc1cc(Oc2ccc(F)c(Br)c2)c(CN)cn1.
What is the InChIKey of [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
The InChIKey is PBXRVSPQIORQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-8-4-13(9(6-16)7-17-8)18-10-2-3-12(15)11(14)5-10/h2-5,7H,6,16H2,1H3.
What are the key properties of [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine?
[4-(3-bromo-4-fluorophenoxy)-6-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 [4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 83235153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).