[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine

C15H17BrN2O2 — CID 79150713

IUPAC[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCCOc2ccc(Br)cc2)c(CN)n1
InChIInChI=1S/C15H17BrN2O2/c1-11-2-7-15(14(10-17)18-11)20-9-8-19-13-5-3-12(16)4-6-13/h2-7H,8-10,17H2,1H3
InChIKeyFRAGOVYSBWQAJF-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.07
Rot. Bonds6

About [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine

[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine (PubChem CID 79150713) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
PubChem CID79150713
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine
SMILESCc1ccc(OCCOc2ccc(Br)cc2)c(CN)n1
InChIInChI=1S/C15H17BrN2O2/c1-11-2-7-15(14(10-17)18-11)20-9-8-19-13-5-3-12(16)4-6-13/h2-7H,8-10,17H2,1H3
InChIKeyFRAGOVYSBWQAJF-UHFFFAOYSA-N
XLogP3.07
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
(3-but-3-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79150479
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methanamine
CID 102999840
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338
(3-but-2-enoxy-6-methyl-2-pyridinyl)methanamine
CID 79151556
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470
(6-methyl-3-propan-2-yloxy-2-pyridinyl)methanamine
CID 79163718
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine?
The IUPAC name of [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine (CID 79150713) is [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine?
The canonical SMILES for [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine is Cc1ccc(OCCOc2ccc(Br)cc2)c(CN)n1.
What is the InChIKey of [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine?
The InChIKey is FRAGOVYSBWQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-11-2-7-15(14(10-17)18-11)20-9-8-19-13-5-3-12(16)4-6-13/h2-7H,8-10,17H2,1H3.
What are the key properties of [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine?
[3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine has a molecular weight of 337.22 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-bromophenoxy)ethoxy]-6-methyl-2-pyridinyl]methanamine is sourced from PubChem (CID 79150713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).