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

C16H16Br3N — CID 63425514

IUPAC2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(C)c1
InChIInChI=1S/C16H16Br3N/c1-9-4-5-13(10(2)6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3
InChIKeyRPHSTQRZQZAXEV-UHFFFAOYSA-N
MW462.02 g/mol
LogP6.76
Rot. Bonds3

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

2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 63425514) has the molecular formula C16H16Br3N and a molecular weight of 462.02 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID63425514
Molecular FormulaC16H16Br3N
Molecular Weight462.02 g/mol
Exact Mass458.88
IUPAC Name2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(C)c1
InChIInChI=1S/C16H16Br3N/c1-9-4-5-13(10(2)6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3
InChIKeyRPHSTQRZQZAXEV-UHFFFAOYSA-N
XLogP6.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 107597666
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
CID 43740817
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2,4,6-tribromo-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43773626
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 82963536

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 63425514) is 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2c(Br)cc(Br)cc2Br)c(C)c1.
What is the InChIKey of 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is RPHSTQRZQZAXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3N/c1-9-4-5-13(10(2)6-9)11(3)20-16-14(18)7-12(17)8-15(16)19/h4-8,11,20H,1-3H3.
What are the key properties of 2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 462.02 g/mol, XLogP of 6.76, 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-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 63425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).