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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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline
CID 137434985
2-fluoro-4-methyl-N,N-bis(methylsulfanyl)aniline
CID 175447106
1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
CID 58322385
1-N,6-N-bis[3,5-bis(3,5-dimethylphenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
CID 58322313
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
1-N,6-N-bis[2-fluoro-4,5-bis(4-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59358004
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(2-fluoro-5-methylphenyl)pyrene-1,6-diamine
CID 159549993
1-N,6-N-bis[2,4-difluoro-5-(4-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099293
1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2,4-difluorophenyl)pyrene-1,6-diamine;1-N,6-N-bis[3,5-bis(2,6-difluorophenyl)phenyl]-1-N,6-N-bis(2-fluorophenyl)pyrene-1,6-diamine
CID 160889889
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436

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).