2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline

C16H17Br2N — CID 63422057

IUPAC2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C16H17Br2N/c1-10-4-5-12(3)13(6-10)9-19-16-14(17)7-11(2)8-15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyHGAXEIBEPHQKAB-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.75
Rot. Bonds3

About 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline

2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline (PubChem CID 63422057) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
PubChem CID63422057
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(C)ccc2C)c(Br)c1
InChIInChI=1S/C16H17Br2N/c1-10-4-5-12(3)13(6-10)9-19-16-14(17)7-11(2)8-15(16)18/h4-8,19H,9H2,1-3H3
InChIKeyHGAXEIBEPHQKAB-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738
3-bromo-4-[(2,5-dimethylphenyl)methylamino]benzonitrile
CID 63443913
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline (CID 63422057) is 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline is Cc1cc(Br)c(NCc2cc(C)ccc2C)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline?
The InChIKey is HGAXEIBEPHQKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-4-5-12(3)13(6-10)9-19-16-14(17)7-11(2)8-15(16)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline?
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline has a molecular weight of 383.13 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 63422057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).