4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline

C15H14F4N2 — CID 69469933

IUPAC4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)c(Cc2c(F)cc(NC)cc2F)c(F)c1
InChIInChI=1S/C15H14F4N2/c1-20-8-3-12(16)10(13(17)4-8)7-11-14(18)5-9(21-2)6-15(11)19/h3-6,20-21H,7H2,1-2H3
InChIKeyOWVPQYCEHYPGFN-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.92
Rot. Bonds4

About 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline

4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline (PubChem CID 69469933) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline
PubChem CID69469933
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC Name4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline
SMILESCNc1cc(F)c(Cc2c(F)cc(NC)cc2F)c(F)c1
InChIInChI=1S/C15H14F4N2/c1-20-8-3-12(16)10(13(17)4-8)7-11-14(18)5-9(21-2)6-15(11)19/h3-6,20-21H,7H2,1-2H3
InChIKeyOWVPQYCEHYPGFN-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline?
The IUPAC name of 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline (CID 69469933) is 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline.
What is the SMILES notation for 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline?
The canonical SMILES for 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline is CNc1cc(F)c(Cc2c(F)cc(NC)cc2F)c(F)c1.
What is the InChIKey of 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline?
The InChIKey is OWVPQYCEHYPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-20-8-3-12(16)10(13(17)4-8)7-11-14(18)5-9(21-2)6-15(11)19/h3-6,20-21H,7H2,1-2H3.
What are the key properties of 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline?
4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline has a molecular weight of 298.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-4-(methylamino)phenyl]methyl]-3,5-difluoro-N-methylaniline is sourced from PubChem (CID 69469933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).