5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine

C16H19BrN2O — CID 115148194

IUPAC5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine
SMILESCCOc1ccc(N(C)c2ccc(Br)c(C)n2)cc1C
InChIInChI=1S/C16H19BrN2O/c1-5-20-15-8-6-13(10-11(15)2)19(4)16-9-7-14(17)12(3)18-16/h6-10H,5H2,1-4H3
InChIKeyKJNVTVWCSLGUBT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine

5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine (PubChem CID 115148194) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine
PubChem CID115148194
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine
SMILESCCOc1ccc(N(C)c2ccc(Br)c(C)n2)cc1C
InChIInChI=1S/C16H19BrN2O/c1-5-20-15-8-6-13(10-11(15)2)19(4)16-9-7-14(17)12(3)18-16/h6-10H,5H2,1-4H3
InChIKeyKJNVTVWCSLGUBT-UHFFFAOYSA-N
XLogP4.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
N-(4-ethoxy-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166060
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine
CID 115147054
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
N-(4-ethoxy-3-methylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162888
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine (CID 115148194) is 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine is CCOc1ccc(N(C)c2ccc(Br)c(C)n2)cc1C.
What is the InChIKey of 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine?
The InChIKey is KJNVTVWCSLGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-5-20-15-8-6-13(10-11(15)2)19(4)16-9-7-14(17)12(3)18-16/h6-10H,5H2,1-4H3.
What are the key properties of 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine?
5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 115148194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).