5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine

C15H17BrN2O — CID 115148484

IUPAC5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Br)cc2C)cc1C
InChIInChI=1S/C15H17BrN2O/c1-10-8-13(5-6-14(10)19-4)18(3)15-11(2)7-12(16)9-17-15/h5-9H,1-4H3
InChIKeyQMVPSTUZAHVRGA-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine

5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine (PubChem CID 115148484) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
PubChem CID115148484
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCOc1ccc(N(C)c2ncc(Br)cc2C)cc1C
InChIInChI=1S/C15H17BrN2O/c1-10-8-13(5-6-14(10)19-4)18(3)15-11(2)7-12(16)9-17-15/h5-9H,1-4H3
InChIKeyQMVPSTUZAHVRGA-UHFFFAOYSA-N
XLogP4.24
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
5-bromo-N-(2-methoxy-5-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148485
N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
CID 115148495
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148526
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
2-N-(3,4-dimethylphenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147871
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265439
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine (CID 115148484) is 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine is COc1ccc(N(C)c2ncc(Br)cc2C)cc1C.
What is the InChIKey of 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is QMVPSTUZAHVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-8-13(5-6-14(10)19-4)18(3)15-11(2)7-12(16)9-17-15/h5-9H,1-4H3.
What are the key properties of 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine?
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 115148484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).