4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine

C16H19BrN2O — CID 107725685

IUPAC4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cc(C)c(Br)c(C)c2)ccn1
InChIInChI=1S/C16H19BrN2O/c1-4-18-15-9-13(5-6-19-15)10-20-14-7-11(2)16(17)12(3)8-14/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeyGKWFRHXUWVSBPS-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.47
Rot. Bonds5

About 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine

4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 107725685) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID107725685
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cc(C)c(Br)c(C)c2)ccn1
InChIInChI=1S/C16H19BrN2O/c1-4-18-15-9-13(5-6-19-15)10-20-14-7-11(2)16(17)12(3)8-14/h5-9H,4,10H2,1-3H3,(H,18,19)
InChIKeyGKWFRHXUWVSBPS-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725734
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 83140667
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
CID 103290176
4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
N-(4-bromo-3,5-dimethylphenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 107578271
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
[4-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]methanol
CID 107723971

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine (CID 107725685) is 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cc(COc2cc(C)c(Br)c(C)c2)ccn1.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is GKWFRHXUWVSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-4-18-15-9-13(5-6-19-15)10-20-14-7-11(2)16(17)12(3)8-14/h5-9H,4,10H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine?
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 107725685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).