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

C15H15BrClN — CID 66161237

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2Br)cc1C
InChIInChI=1S/C15H15BrClN/c1-10-3-5-14(7-11(10)2)18-9-12-8-13(17)4-6-15(12)16/h3-8,18H,9H2,1-2H3
InChIKeyCFNPLKXHVQZMEK-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.33
Rot. Bonds3

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

N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline (PubChem CID 66161237) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
PubChem CID66161237
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2cc(Cl)ccc2Br)cc1C
InChIInChI=1S/C15H15BrClN/c1-10-3-5-14(7-11(10)2)18-9-12-8-13(17)4-6-15(12)16/h3-8,18H,9H2,1-2H3
InChIKeyCFNPLKXHVQZMEK-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
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-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
N-[(5-chloro-2-nitrophenyl)methyl]-3,4-dimethylaniline
CID 78998883
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzodioxol-5-amine
CID 66161040
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline (CID 66161237) is N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2cc(Cl)ccc2Br)cc1C.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline?
The InChIKey is CFNPLKXHVQZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-3-5-14(7-11(10)2)18-9-12-8-13(17)4-6-15(12)16/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline has a molecular weight of 324.65 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 66161237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).