2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline

C28H21F4NO — CID 142500531

IUPAC2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc3c(c2)C(F)(F)OC3(F)F)cc1)c1ccccc1C
InChIInChI=1S/C28H21F4NO/c1-18-7-3-5-9-25(18)33(26-10-6-4-8-19(26)2)22-14-11-20(12-15-22)21-13-16-23-24(17-21)28(31,32)34-27(23,29)30/h3-17H,1-2H3
InChIKeyBCMFEMINGOAZSB-UHFFFAOYSA-N
MW463.47 g/mol
LogP8.57
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline

2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline (PubChem CID 142500531) has the molecular formula C28H21F4NO and a molecular weight of 463.47 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
PubChem CID142500531
Molecular FormulaC28H21F4NO
Molecular Weight463.47 g/mol
Exact Mass463.16
IUPAC Name2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
SMILESCc1ccccc1N(c1ccc(-c2ccc3c(c2)C(F)(F)OC3(F)F)cc1)c1ccccc1C
InChIInChI=1S/C28H21F4NO/c1-18-7-3-5-9-25(18)33(26-10-6-4-8-19(26)2)22-14-11-20(12-15-22)21-13-16-23-24(17-21)28(31,32)34-27(23,29)30/h3-17H,1-2H3
InChIKeyBCMFEMINGOAZSB-UHFFFAOYSA-N
XLogP8.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.47
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
CID 158552847
1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
CID 142500795
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
CID 142500441
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
CID 148635885
4-[3,5-dimethyl-4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121322879
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 158435448
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-methylphenyl)anilino]-3,5-dimethylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-dimethyl-N-(2-methylphenyl)aniline
CID 121322897
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
3-methyl-4-[2-methyl-4-(N-(2-methylphenyl)-4-naphthalen-2-ylanilino)phenyl]-N-(2-methylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 121322814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline (CID 142500531) is 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline is Cc1ccccc1N(c1ccc(-c2ccc3c(c2)C(F)(F)OC3(F)F)cc1)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline?
The InChIKey is BCMFEMINGOAZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4NO/c1-18-7-3-5-9-25(18)33(26-10-6-4-8-19(26)2)22-14-11-20(12-15-22)21-13-16-23-24(17-21)28(31,32)34-27(23,29)30/h3-17H,1-2H3.
What are the key properties of 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline?
2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline has a molecular weight of 463.47 g/mol, XLogP of 8.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline is sourced from PubChem (CID 142500531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).