5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline

C13H10Cl2FN — CID 81274932

IUPAC5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
SMILESCc1cc(-c2ccc(Cl)cc2N)c(Cl)cc1F
InChIInChI=1S/C13H10Cl2FN/c1-7-4-10(11(15)6-12(7)16)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3
InChIKeyIFTSSEIBTAWXSM-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.69
Rot. Bonds1

About 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline

5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline (PubChem CID 81274932) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
PubChem CID81274932
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline
SMILESCc1cc(-c2ccc(Cl)cc2N)c(Cl)cc1F
InChIInChI=1S/C13H10Cl2FN/c1-7-4-10(11(15)6-12(7)16)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3
InChIKeyIFTSSEIBTAWXSM-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.69
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

5-chloro-2-(2,5-difluoro-4-methylphenyl)aniline
CID 81274762
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
5-(2-chloro-4-fluoro-5-methylphenyl)-6-methylpyridin-2-amine
CID 81045380
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
4-(4-chloro-2-fluorophenyl)-5-fluoro-2-methylaniline
CID 171916633
3-chloro-4-(2-chloro-4-fluoro-5-methylphenyl)benzoic acid
CID 81308236
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
5-chloro-2-(3,4,5-trifluorophenyl)aniline
CID 81275236
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline?
The IUPAC name of 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline (CID 81274932) is 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline?
The canonical SMILES for 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline is Cc1cc(-c2ccc(Cl)cc2N)c(Cl)cc1F.
What is the InChIKey of 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline?
The InChIKey is IFTSSEIBTAWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c1-7-4-10(11(15)6-12(7)16)9-3-2-8(14)5-13(9)17/h2-6H,17H2,1H3.
What are the key properties of 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline?
5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline has a molecular weight of 270.13 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-fluoro-5-methylphenyl)aniline is sourced from PubChem (CID 81274932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).