2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline

C15H14Br3NO — CID 103463564

IUPAC2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1c(Br)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C15H14Br3NO/c1-20-9-14(10-5-3-2-4-6-10)19-15-12(17)7-11(16)8-13(15)18/h2-8,14,19H,9H2,1H3
InChIKeyZSKKXYFWRKGDII-UHFFFAOYSA-N
MW464.00 g/mol
LogP5.77
Rot. Bonds5

About 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline

2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463564) has the molecular formula C15H14Br3NO and a molecular weight of 464.00 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463564
Molecular FormulaC15H14Br3NO
Molecular Weight464.00 g/mol
Exact Mass460.86
IUPAC Name2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1c(Br)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C15H14Br3NO/c1-20-9-14(10-5-3-2-4-6-10)19-15-12(17)7-11(16)8-13(15)18/h2-8,14,19H,9H2,1H3
InChIKeyZSKKXYFWRKGDII-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464437
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
4-bromo-N-(2-methoxy-1-phenylethyl)-3-nitroaniline
CID 103464391
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
N-(2-ethylsulfonylethyl)-2-methoxy-1-phenylethanamine
CID 107234098
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline (CID 103463564) is 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1c(Br)cc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is ZSKKXYFWRKGDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br3NO/c1-20-9-14(10-5-3-2-4-6-10)19-15-12(17)7-11(16)8-13(15)18/h2-8,14,19H,9H2,1H3.
What are the key properties of 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline?
2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 464.00 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).