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

C16H19BrN2O — CID 115148429

IUPAC5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine
SMILESCOc1c(C)cc(Nc2ncc(Br)cc2C)c(C)c1C
InChIInChI=1S/C16H19BrN2O/c1-9-7-14(11(3)12(4)15(9)20-5)19-16-10(2)6-13(17)8-18-16/h6-8H,1-5H3,(H,18,19)
InChIKeyQIIMFJZBDCAZPP-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.83
Rot. Bonds3

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

5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine (PubChem CID 115148429) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine
PubChem CID115148429
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine
SMILESCOc1c(C)cc(Nc2ncc(Br)cc2C)c(C)c1C
InChIInChI=1S/C16H19BrN2O/c1-9-7-14(11(3)12(4)15(9)20-5)19-16-10(2)6-13(17)8-18-16/h6-8H,1-5H3,(H,18,19)
InChIKeyQIIMFJZBDCAZPP-UHFFFAOYSA-N
XLogP4.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
CID 79718663
5-bromo-3-methyl-N-(3-methylthiophen-2-yl)pyridin-2-amine
CID 115148473
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 84609052
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine (CID 115148429) is 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine is COc1c(C)cc(Nc2ncc(Br)cc2C)c(C)c1C.
What is the InChIKey of 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine?
The InChIKey is QIIMFJZBDCAZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-9-7-14(11(3)12(4)15(9)20-5)19-16-10(2)6-13(17)8-18-16/h6-8H,1-5H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine?
5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.83, 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-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 115148429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).