4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline

C15H14Br2ClN — CID 107571724

IUPAC4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2cc(Cl)ccc2Br)cc(C)c1Br
InChIInChI=1S/C15H14Br2ClN/c1-9-5-13(6-10(2)15(9)17)19-8-11-7-12(18)3-4-14(11)16/h3-7,19H,8H2,1-2H3
InChIKeyLEMGIYVFYICHIH-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.09
Rot. Bonds3

About 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline

4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline (PubChem CID 107571724) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
PubChem CID107571724
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2cc(Cl)ccc2Br)cc(C)c1Br
InChIInChI=1S/C15H14Br2ClN/c1-9-5-13(6-10(2)15(9)17)19-8-11-7-12(18)3-4-14(11)16/h3-7,19H,8H2,1-2H3
InChIKeyLEMGIYVFYICHIH-UHFFFAOYSA-N
XLogP6.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline (CID 107571724) is 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline is Cc1cc(NCc2cc(Cl)ccc2Br)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline?
The InChIKey is LEMGIYVFYICHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-9-5-13(6-10(2)15(9)17)19-8-11-7-12(18)3-4-14(11)16/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline?
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline has a molecular weight of 403.55 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).