3-(2,4-difluoro-5-methylphenyl)-5-methylaniline

C14H13F2N — CID 107579819

IUPAC3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C14H13F2N/c1-8-3-10(6-11(17)4-8)12-5-9(2)13(15)7-14(12)16/h3-7H,17H2,1-2H3
InChIKeyCFITVDQPLFNWTK-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.83
Rot. Bonds1

About 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline

3-(2,4-difluoro-5-methylphenyl)-5-methylaniline (PubChem CID 107579819) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline.

Molecular Properties

Compound Name3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
PubChem CID107579819
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name3-(2,4-difluoro-5-methylphenyl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C14H13F2N/c1-8-3-10(6-11(17)4-8)12-5-9(2)13(15)7-14(12)16/h3-7H,17H2,1-2H3
InChIKeyCFITVDQPLFNWTK-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.83
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 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline?
The IUPAC name of 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline (CID 107579819) is 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline.
What is the SMILES notation for 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline?
The canonical SMILES for 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline is Cc1cc(N)cc(-c2cc(C)c(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline?
The InChIKey is CFITVDQPLFNWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-8-3-10(6-11(17)4-8)12-5-9(2)13(15)7-14(12)16/h3-7H,17H2,1-2H3.
What are the key properties of 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline?
3-(2,4-difluoro-5-methylphenyl)-5-methylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-5-methylphenyl)-5-methylaniline is sourced from PubChem (CID 107579819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).