N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline

C21H17F4N — CID 137434985

IUPACN-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2cc(F)c(C)cc2F)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C21H17F4N/c1-12-4-7-15(8-5-12)26(18-9-6-13(2)20(24)21(18)25)19-11-16(22)14(3)10-17(19)23/h4-11H,1-3H3
InChIKeyGEIMIWQGWKXUFO-UHFFFAOYSA-N
MW359.37 g/mol
LogP6.64
Rot. Bonds3

About N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline

N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 137434985) has the molecular formula C21H17F4N and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline
PubChem CID137434985
Molecular FormulaC21H17F4N
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2cc(F)c(C)cc2F)c2ccc(C)c(F)c2F)cc1
InChIInChI=1S/C21H17F4N/c1-12-4-7-15(8-5-12)26(18-9-6-13(2)20(24)21(18)25)19-11-16(22)14(3)10-17(19)23/h4-11H,1-3H3
InChIKeyGEIMIWQGWKXUFO-UHFFFAOYSA-N
XLogP6.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 137434924
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
2-fluoro-4-methyl-N,N-bis(methylsulfanyl)aniline
CID 175447106
1-N,6-N-bis[2-fluoro-4,5-bis(4-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59358004
2-bromo-N-(2-bromo-4-methylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 122673088
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59041372
1-N,6-N-bis[2,4-difluoro-5-(4-methylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 58099293
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
4-chloro-3,5-difluoro-N,N-bis(4-methylphenyl)aniline
CID 171448905
1-N-[4,5-bis(2,5-dimethylphenyl)-2-fluorophenyl]-6-N-[4,5-bis(2,5-dimethylphenyl)-2-methylphenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357726
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline (CID 137434985) is N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2cc(F)c(C)cc2F)c2ccc(C)c(F)c2F)cc1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is GEIMIWQGWKXUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N/c1-12-4-7-15(8-5-12)26(18-9-6-13(2)20(24)21(18)25)19-11-16(22)14(3)10-17(19)23/h4-11H,1-3H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline?
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 359.37 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoro-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 137434985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).