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

C13H11ClFN — CID 171921703

IUPAC2-chloro-4-fluoro-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1cc(N)c(Cl)cc1F
InChIInChI=1S/C13H11ClFN/c1-8-4-2-3-5-9(8)10-6-13(16)11(14)7-12(10)15/h2-7H,16H2,1H3
InChIKeyGAHAONNHVNTXJM-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.04
Rot. Bonds1

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

2-chloro-4-fluoro-5-(2-methylphenyl)aniline (PubChem CID 171921703) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(2-methylphenyl)aniline
PubChem CID171921703
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name2-chloro-4-fluoro-5-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1cc(N)c(Cl)cc1F
InChIInChI=1S/C13H11ClFN/c1-8-4-2-3-5-9(8)10-6-13(16)11(14)7-12(10)15/h2-7H,16H2,1H3
InChIKeyGAHAONNHVNTXJM-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-(2-methylphenyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-5-(2-methylphenyl)aniline (CID 171921703) is 2-chloro-4-fluoro-5-(2-methylphenyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-5-(2-methylphenyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-5-(2-methylphenyl)aniline is Cc1ccccc1-c1cc(N)c(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-(2-methylphenyl)aniline?
The InChIKey is GAHAONNHVNTXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c1-8-4-2-3-5-9(8)10-6-13(16)11(14)7-12(10)15/h2-7H,16H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-(2-methylphenyl)aniline?
2-chloro-4-fluoro-5-(2-methylphenyl)aniline has a molecular weight of 235.69 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(2-methylphenyl)aniline is sourced from PubChem (CID 171921703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).