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

C14H12BrCl2N — CID 104722481

IUPAC2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-9-6-11(15)14(7-13(9)17)18-8-10-4-2-3-5-12(10)16/h2-7,18H,8H2,1H3
InChIKeyRITYLQQOVYGWKK-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.68
Rot. Bonds3

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

2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline (PubChem CID 104722481) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
PubChem CID104722481
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
SMILESCc1cc(Br)c(NCc2ccccc2Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-9-6-11(15)14(7-13(9)17)18-8-10-4-2-3-5-12(10)16/h2-7,18H,8H2,1H3
InChIKeyRITYLQQOVYGWKK-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

2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-4-methylaniline
CID 104722568
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
N-[(2-bromo-5-fluorophenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726869

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline (CID 104722481) is 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline is Cc1cc(Br)c(NCc2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline?
The InChIKey is RITYLQQOVYGWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9-6-11(15)14(7-13(9)17)18-8-10-4-2-3-5-12(10)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline?
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-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 2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 104722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).