4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline

C16H18Br2N2 — CID 102237825

IUPAC4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline
SMILESCNc1ccc(Br)cc1Cc1cc(Br)ccc1N(C)C
InChIInChI=1S/C16H18Br2N2/c1-19-15-6-4-13(17)9-11(15)8-12-10-14(18)5-7-16(12)20(2)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyRWRAYPYBGRFVCF-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.91
Rot. Bonds4

About 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline

4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline (PubChem CID 102237825) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline
PubChem CID102237825
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline
SMILESCNc1ccc(Br)cc1Cc1cc(Br)ccc1N(C)C
InChIInChI=1S/C16H18Br2N2/c1-19-15-6-4-13(17)9-11(15)8-12-10-14(18)5-7-16(12)20(2)3/h4-7,9-10,19H,8H2,1-3H3
InChIKeyRWRAYPYBGRFVCF-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline?
The IUPAC name of 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline (CID 102237825) is 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline.
What is the SMILES notation for 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline?
The canonical SMILES for 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline is CNc1ccc(Br)cc1Cc1cc(Br)ccc1N(C)C.
What is the InChIKey of 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline?
The InChIKey is RWRAYPYBGRFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2/c1-19-15-6-4-13(17)9-11(15)8-12-10-14(18)5-7-16(12)20(2)3/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline?
4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline has a molecular weight of 398.14 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[5-bromo-2-(dimethylamino)phenyl]methyl]-N-methylaniline is sourced from PubChem (CID 102237825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).