2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline

C14H10Br5N — CID 63425379

IUPAC2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
SMILESCC(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br5N/c1-7(10-3-2-8(15)4-11(10)17)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3
InChIKeyAWJWURIUSWXQNW-UHFFFAOYSA-N
MW591.76 g/mol
LogP7.67
Rot. Bonds3

About 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline

2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline (PubChem CID 63425379) has the molecular formula C14H10Br5N and a molecular weight of 591.76 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
PubChem CID63425379
Molecular FormulaC14H10Br5N
Molecular Weight591.76 g/mol
Exact Mass586.67
IUPAC Name2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
SMILESCC(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br5N/c1-7(10-3-2-8(15)4-11(10)17)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3
InChIKeyAWJWURIUSWXQNW-UHFFFAOYSA-N
XLogP7.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 63425514
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
4-[1-(2,4-dibromophenyl)ethylamino]benzoic acid
CID 60781692
1-(2,4-dibromophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720321
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43773626
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828
N-[1-(2,4-dibromophenyl)ethyl]butan-2-amine
CID 60781142
4-[1-(2,4-dibromophenyl)ethylamino]benzamide
CID 60781228
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
CID 83167167
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271
1-(2,4-dibromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81375703

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline (CID 63425379) is 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline is CC(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline?
The InChIKey is AWJWURIUSWXQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br5N/c1-7(10-3-2-8(15)4-11(10)17)20-14-12(18)5-9(16)6-13(14)19/h2-7,20H,1H3.
What are the key properties of 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline?
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline has a molecular weight of 591.76 g/mol, XLogP of 7.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline is sourced from PubChem (CID 63425379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).