2-[2-(3-fluorophenyl)-5-methylphenyl]aniline

C19H16FN — CID 102219851

IUPAC2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
SMILESCc1ccc(-c2cccc(F)c2)c(-c2ccccc2N)c1
InChIInChI=1S/C19H16FN/c1-13-9-10-16(14-5-4-6-15(20)12-14)18(11-13)17-7-2-3-8-19(17)21/h2-12H,21H2,1H3
InChIKeyUFKNIKVMBBIPMC-UHFFFAOYSA-N
MW277.34 g/mol
LogP5.05
Rot. Bonds2

About 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline

2-[2-(3-fluorophenyl)-5-methylphenyl]aniline (PubChem CID 102219851) has the molecular formula C19H16FN and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
PubChem CID102219851
Molecular FormulaC19H16FN
Molecular Weight277.34 g/mol
Exact Mass277.13
IUPAC Name2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
SMILESCc1ccc(-c2cccc(F)c2)c(-c2ccccc2N)c1
InChIInChI=1S/C19H16FN/c1-13-9-10-16(14-5-4-6-15(20)12-14)18(11-13)17-7-2-3-8-19(17)21/h2-12H,21H2,1H3
InChIKeyUFKNIKVMBBIPMC-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.34
LogP ≤ 55.05
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-[2-(3-fluorophenyl)-5-methylphenyl]aniline?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline (CID 102219851) is 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline is Cc1ccc(-c2cccc(F)c2)c(-c2ccccc2N)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline?
The InChIKey is UFKNIKVMBBIPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN/c1-13-9-10-16(14-5-4-6-15(20)12-14)18(11-13)17-7-2-3-8-19(17)21/h2-12H,21H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline?
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline has a molecular weight of 277.34 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-methylphenyl]aniline is sourced from PubChem (CID 102219851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).