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

C15H17BrN2S — CID 115148526

IUPAC5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCCSc1ccc(N(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2S/c1-4-19-14-7-5-13(6-8-14)18(3)15-11(2)9-12(16)10-17-15/h5-10H,4H2,1-3H3
InChIKeyHESGINKSFRQIHC-UHFFFAOYSA-N
MW337.29 g/mol
LogP5.03
Rot. Bonds4

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

5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine (PubChem CID 115148526) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
PubChem CID115148526
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine
SMILESCCSc1ccc(N(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C15H17BrN2S/c1-4-19-14-7-5-13(6-8-14)18(3)15-11(2)9-12(16)10-17-15/h5-10H,4H2,1-3H3
InChIKeyHESGINKSFRQIHC-UHFFFAOYSA-N
XLogP5.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
CID 115148495
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
2-N,3-dimethyl-2-N-(4-methylsulfanylphenyl)pyridine-2,5-diamine
CID 115147909
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-bromo-N-(2-methoxy-5-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148485
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
6-(4-ethyl-N-methylanilino)-5-methylpyridine-3-carbaldehyde
CID 80636648
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
CID 80638223
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine (CID 115148526) is 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine is CCSc1ccc(N(C)c2ncc(Br)cc2C)cc1.
What is the InChIKey of 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is HESGINKSFRQIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-4-19-14-7-5-13(6-8-14)18(3)15-11(2)9-12(16)10-17-15/h5-10H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine?
5-bromo-N-(4-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 337.29 g/mol, XLogP of 5.03, 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-ethylsulfanylphenyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 115148526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).