5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline

C15H15BrClN — CID 63477043

IUPAC5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C)c(CNc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H15BrClN/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyJRFJITGSSZNTJW-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.33
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline

5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline (PubChem CID 63477043) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
PubChem CID63477043
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C)c(CNc2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H15BrClN/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyJRFJITGSSZNTJW-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

2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
4-bromo-2-[(2,5-dimethylphenyl)methylamino]benzonitrile
CID 107797250
methyl 4-chloro-3-[(2,5-dimethylphenyl)methylamino]benzoate
CID 63441956
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
6-chloro-N-[(2,5-dimethylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 63429722
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
4-bromo-2-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 107797851
2,4,6-tribromo-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63425110
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline?
The IUPAC name of 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline (CID 63477043) is 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline?
The canonical SMILES for 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline is Cc1ccc(C)c(CNc2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline?
The InChIKey is JRFJITGSSZNTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-3-4-11(2)12(7-10)9-18-15-8-13(16)5-6-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline?
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline 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 5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 63477043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).