5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline

C14H12Br2ClN — CID 66161311

IUPAC5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12Br2ClN/c1-9-2-3-11(15)7-14(9)18-8-10-6-12(17)4-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyZIUQODYOCINQSX-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.79
Rot. Bonds3

About 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline

5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline (PubChem CID 66161311) has the molecular formula C14H12Br2ClN and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
PubChem CID66161311
Molecular FormulaC14H12Br2ClN
Molecular Weight389.52 g/mol
Exact Mass386.90
IUPAC Name5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C14H12Br2ClN/c1-9-2-3-11(15)7-14(9)18-8-10-6-12(17)4-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyZIUQODYOCINQSX-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647
3-[(2-bromo-5-chlorophenyl)methylamino]-4-methylbenzonitrile
CID 66160570
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
CID 126121269
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline (CID 66161311) is 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline is Cc1ccc(Br)cc1NCc1cc(Cl)ccc1Br.
What is the InChIKey of 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline?
The InChIKey is ZIUQODYOCINQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClN/c1-9-2-3-11(15)7-14(9)18-8-10-6-12(17)4-5-13(10)16/h2-7,18H,8H2,1H3.
What are the key properties of 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline?
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline has a molecular weight of 389.52 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 66161311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).