1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

C15H17BrN2O — CID 80633834

IUPAC1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C15H17BrN2O/c1-10-7-13(16)4-5-14(10)19-15-11(2)6-12(8-17-3)9-18-15/h4-7,9,17H,8H2,1-3H3
InChIKeyIBTOYMAQGYWCPT-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.97
Rot. Bonds4

About 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80633834) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80633834
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C15H17BrN2O/c1-10-7-13(16)4-5-14(10)19-15-11(2)6-12(8-17-3)9-18-15/h4-7,9,17H,8H2,1-3H3
InChIKeyIBTOYMAQGYWCPT-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-methoxy-4-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635567
N-[[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637433
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
5-(bromomethyl)-2-(5-bromo-2-methylphenoxy)-3-methylpyridine
CID 107284943
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391454
N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
N-[[6-(5-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 114674388
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
N-methyl-1-[5-methyl-6-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116793108
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80633834) is 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Oc2ccc(Br)cc2C)c(C)c1.
What is the InChIKey of 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is IBTOYMAQGYWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-7-13(16)4-5-14(10)19-15-11(2)6-12(8-17-3)9-18-15/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromo-2-methylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80633834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).