2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline

C20H17F2N — CID 137434924

IUPAC2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccccc2F)c2ccc(C)cc2F)cc1
InChIInChI=1S/C20H17F2N/c1-14-7-10-16(11-8-14)23(19-6-4-3-5-17(19)21)20-12-9-15(2)13-18(20)22/h3-13H,1-2H3
InChIKeyYHDNRIBZQFYVOS-UHFFFAOYSA-N
MW309.36 g/mol
LogP6.05
Rot. Bonds3

About 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline

2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 137434924) has the molecular formula C20H17F2N and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
PubChem CID137434924
Molecular FormulaC20H17F2N
Molecular Weight309.36 g/mol
Exact Mass309.13
IUPAC Name2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccccc2F)c2ccc(C)cc2F)cc1
InChIInChI=1S/C20H17F2N/c1-14-7-10-16(11-8-14)23(19-6-4-3-5-17(19)21)20-12-9-15(2)13-18(20)22/h3-13H,1-2H3
InChIKeyYHDNRIBZQFYVOS-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline (CID 137434924) is 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccccc2F)c2ccc(C)cc2F)cc1.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is YHDNRIBZQFYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N/c1-14-7-10-16(11-8-14)23(19-6-4-3-5-17(19)21)20-12-9-15(2)13-18(20)22/h3-13H,1-2H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline?
2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 309.36 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 137434924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).