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

C14H11Br3ClN — CID 66161248

IUPAC2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(Cl)ccc2Br)c(Br)c1
InChIInChI=1S/C14H11Br3ClN/c1-8-4-12(16)14(13(17)5-8)19-7-9-6-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3
InChIKeyVOFQIFBFGPCGDS-UHFFFAOYSA-N
MW468.41 g/mol
LogP6.55
Rot. Bonds3

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

2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline (PubChem CID 66161248) has the molecular formula C14H11Br3ClN and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
PubChem CID66161248
Molecular FormulaC14H11Br3ClN
Molecular Weight468.41 g/mol
Exact Mass464.81
IUPAC Name2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2cc(Cl)ccc2Br)c(Br)c1
InChIInChI=1S/C14H11Br3ClN/c1-8-4-12(16)14(13(17)5-8)19-7-9-6-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3
InChIKeyVOFQIFBFGPCGDS-UHFFFAOYSA-N
XLogP6.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
2,6-dibromo-N-[(2,5-dimethylphenyl)methyl]-4-methylaniline
CID 63422057
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
N-[(2-bromo-5-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924962
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline (CID 66161248) is 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline is Cc1cc(Br)c(NCc2cc(Cl)ccc2Br)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
The InChIKey is VOFQIFBFGPCGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3ClN/c1-8-4-12(16)14(13(17)5-8)19-7-9-6-10(18)2-3-11(9)15/h2-6,19H,7H2,1H3.
What are the key properties of 2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline?
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline has a molecular weight of 468.41 g/mol, XLogP of 6.55, 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-bromo-5-chlorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 66161248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).