2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline

C15H13Br4NO — CID 107597573

IUPAC2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(Br)cc1CNc1c(Br)cccc1Br
InChIInChI=1S/C15H13Br4NO/c1-2-21-15-9(6-10(16)7-13(15)19)8-20-14-11(17)4-3-5-12(14)18/h3-7,20H,2,8H2,1H3
InChIKeyALGAMJPWJGXHEX-UHFFFAOYSA-N
MW542.89 g/mol
LogP6.75
Rot. Bonds5

About 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline

2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline (PubChem CID 107597573) has the molecular formula C15H13Br4NO and a molecular weight of 542.89 g/mol. Its IUPAC name is 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
PubChem CID107597573
Molecular FormulaC15H13Br4NO
Molecular Weight542.89 g/mol
Exact Mass538.77
IUPAC Name2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
SMILESCCOc1c(Br)cc(Br)cc1CNc1c(Br)cccc1Br
InChIInChI=1S/C15H13Br4NO/c1-2-21-15-9(6-10(16)7-13(15)19)8-20-14-11(17)4-3-5-12(14)18/h3-7,20H,2,8H2,1H3
InChIKeyALGAMJPWJGXHEX-UHFFFAOYSA-N
XLogP6.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.89
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43757273
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
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
CID 107584894
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
CID 43776849
1-(3,5-dibromo-2-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82710582
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 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline (CID 107597573) is 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline is CCOc1c(Br)cc(Br)cc1CNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
The InChIKey is ALGAMJPWJGXHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br4NO/c1-2-21-15-9(6-10(16)7-13(15)19)8-20-14-11(17)4-3-5-12(14)18/h3-7,20H,2,8H2,1H3.
What are the key properties of 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline?
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline has a molecular weight of 542.89 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline is sourced from PubChem (CID 107597573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).