5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine

C15H17BrN2O — CID 115147018

IUPAC5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
SMILESCOc1c(C)cc(Nc2cc(C)c(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2O/c1-9-7-14(17-8-13(9)16)18-12-5-10(2)15(19-4)11(3)6-12/h5-8H,1-4H3,(H,17,18)
InChIKeyIDLKMDKRFXTLRQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.52
Rot. Bonds3

About 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine

5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine (PubChem CID 115147018) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
PubChem CID115147018
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
SMILESCOc1c(C)cc(Nc2cc(C)c(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2O/c1-9-7-14(17-8-13(9)16)18-12-5-10(2)15(19-4)11(3)6-12/h5-8H,1-4H3,(H,17,18)
InChIKeyIDLKMDKRFXTLRQ-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine (CID 115147018) is 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine is COc1c(C)cc(Nc2cc(C)c(Br)cn2)cc1C.
What is the InChIKey of 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine?
The InChIKey is IDLKMDKRFXTLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9-7-14(17-8-13(9)16)18-12-5-10(2)15(19-4)11(3)6-12/h5-8H,1-4H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine?
5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 115147018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).