N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline

C14H12BrCl2N — CID 83235718

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrCl2N/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-13(17)12(15)6-10/h2-7,18H,8H2,1H3
InChIKeyXCJSZBLVCXGVJF-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.68
Rot. Bonds3

About N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline

N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline (PubChem CID 83235718) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
PubChem CID83235718
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H12BrCl2N/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-13(17)12(15)6-10/h2-7,18H,8H2,1H3
InChIKeyXCJSZBLVCXGVJF-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(3-bromo-4-chlorophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 83232437
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
5-chloro-N-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126120798
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
N-[(3-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 83235178
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
N-[(3-bromo-4-fluorophenyl)methyl]-4-chloro-2-methylaniline
CID 30059054
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline (CID 83235718) is N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline is Cc1ccc(Cl)cc1NCc1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline?
The InChIKey is XCJSZBLVCXGVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-13(17)12(15)6-10/h2-7,18H,8H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline?
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline has a molecular weight of 345.07 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline is sourced from PubChem (CID 83235718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).