5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine

C15H17BrN2O — CID 115147054

IUPAC5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine
SMILESCCOc1ccc(N(C)c2cc(C)c(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-4-19-13-7-5-12(6-8-13)18(3)15-9-11(2)14(16)10-17-15/h5-10H,4H2,1-3H3
InChIKeyYAFIYMPFWZVGNY-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.32
Rot. Bonds4

About 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine

5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine (PubChem CID 115147054) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine
PubChem CID115147054
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine
SMILESCCOc1ccc(N(C)c2cc(C)c(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-4-19-13-7-5-12(6-8-13)18(3)15-9-11(2)14(16)10-17-15/h5-10H,4H2,1-3H3
InChIKeyYAFIYMPFWZVGNY-UHFFFAOYSA-N
XLogP4.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004
4-ethoxy-N,N-dimethylaniline
CID 3624890
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
2-N,4-dimethyl-2-N-[4-(2-methylpropyl)phenyl]pyridine-2,5-diamine
CID 115147336
5-bromo-N-(4-ethoxy-3-methylphenyl)-N,6-dimethylpyridin-2-amine
CID 115148194
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
CID 115147167
2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine (CID 115147054) is 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine is CCOc1ccc(N(C)c2cc(C)c(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is YAFIYMPFWZVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-4-19-13-7-5-12(6-8-13)18(3)15-9-11(2)14(16)10-17-15/h5-10H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine?
5-bromo-N-(4-ethoxyphenyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.32, 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-ethoxyphenyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 115147054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).