4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine

C16H19BrN2O — CID 83140667

IUPAC4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2ccc(Br)c(C)c2)ccn1
InChIInChI=1S/C16H19BrN2O/c1-3-7-18-16-10-13(6-8-19-16)11-20-14-4-5-15(17)12(2)9-14/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19)
InChIKeyWOCIXISREGSVNJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.55
Rot. Bonds6

About 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine

4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 83140667) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID83140667
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(COc2ccc(Br)c(C)c2)ccn1
InChIInChI=1S/C16H19BrN2O/c1-3-7-18-16-10-13(6-8-19-16)11-20-14-4-5-15(17)12(2)9-14/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19)
InChIKeyWOCIXISREGSVNJ-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
4-[(4-bromo-3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 107725685
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 83138173
4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
CID 62463881
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine (CID 83140667) is 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1cc(COc2ccc(Br)c(C)c2)ccn1.
What is the InChIKey of 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is WOCIXISREGSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-7-18-16-10-13(6-8-19-16)11-20-14-4-5-15(17)12(2)9-14/h4-6,8-10H,3,7,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine?
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 83140667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).