2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline

C14H13Cl2N — CID 107607819

IUPAC2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
SMILESCc1cc(Cl)c(-c2ccc(N)c(Cl)c2)cc1C
InChIInChI=1S/C14H13Cl2N/c1-8-5-11(12(15)6-9(8)2)10-3-4-14(17)13(16)7-10/h3-7H,17H2,1-2H3
InChIKeyGKNHPEAGZGEJLG-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.86
Rot. Bonds1

About 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline

2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline (PubChem CID 107607819) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
PubChem CID107607819
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
SMILESCc1cc(Cl)c(-c2ccc(N)c(Cl)c2)cc1C
InChIInChI=1S/C14H13Cl2N/c1-8-5-11(12(15)6-9(8)2)10-3-4-14(17)13(16)7-10/h3-7H,17H2,1-2H3
InChIKeyGKNHPEAGZGEJLG-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-methoxy-3,4-dimethylphenyl)aniline
CID 107607763
2-chloro-4,5-dimethylaniline
CID 53416768
3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
CID 107579824
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
2-chloro-4-methylaniline
CID 12007
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
CID 113319516
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
4-(4-aminophenyl)-2,5-dichloroaniline
CID 154170226
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
CID 115484394

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline?
The IUPAC name of 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline (CID 107607819) is 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline?
The canonical SMILES for 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline is Cc1cc(Cl)c(-c2ccc(N)c(Cl)c2)cc1C.
What is the InChIKey of 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline?
The InChIKey is GKNHPEAGZGEJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-8-5-11(12(15)6-9(8)2)10-3-4-14(17)13(16)7-10/h3-7H,17H2,1-2H3.
What are the key properties of 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline?
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline has a molecular weight of 266.17 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline is sourced from PubChem (CID 107607819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).