N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine

C15H16Br2N2O — CID 107584894

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cncc(C)c1
InChIInChI=1S/C15H16Br2N2O/c1-3-20-15-11(5-12(16)6-14(15)17)8-19-13-4-10(2)7-18-9-13/h4-7,9,19H,3,8H2,1-2H3
InChIKeyHDOIUHLZFLQQCG-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.93
Rot. Bonds5

About N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine (PubChem CID 107584894) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
PubChem CID107584894
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cncc(C)c1
InChIInChI=1S/C15H16Br2N2O/c1-3-20-15-11(5-12(16)6-14(15)17)8-19-13-4-10(2)7-18-9-13/h4-7,9,19H,3,8H2,1-2H3
InChIKeyHDOIUHLZFLQQCG-UHFFFAOYSA-N
XLogP4.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
CID 43776849
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776644
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43757273
1-(3,5-dibromo-2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275664
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 63477755
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine (CID 107584894) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine is CCOc1c(Br)cc(Br)cc1CNc1cncc(C)c1.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine?
The InChIKey is HDOIUHLZFLQQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-3-20-15-11(5-12(16)6-14(15)17)8-19-13-4-10(2)7-18-9-13/h4-7,9,19H,3,8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine has a molecular weight of 400.11 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 107584894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).