N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

C22H20Br2FNO — CID 126127146

IUPACN-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H20Br2FNO/c1-14-3-4-15(2)21(9-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-5-7-19(25)8-6-16/h3-11,26H,12-13H2,1-2H3
InChIKeyUZPCWSNWMYAZKZ-UHFFFAOYSA-N
MW493.21 g/mol
LogP7.16
Rot. Bonds6

About N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline

N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (PubChem CID 126127146) has the molecular formula C22H20Br2FNO and a molecular weight of 493.21 g/mol. Its IUPAC name is N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
PubChem CID126127146
Molecular FormulaC22H20Br2FNO
Molecular Weight493.21 g/mol
Exact Mass490.99
IUPAC NameN-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H20Br2FNO/c1-14-3-4-15(2)21(9-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-5-7-19(25)8-6-16/h3-11,26H,12-13H2,1-2H3
InChIKeyUZPCWSNWMYAZKZ-UHFFFAOYSA-N
XLogP7.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.21
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126118815
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
2,5-dimethyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128637
5-chloro-N-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126120798
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
N-[[3,5-dibromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126124844
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (CID 126127146) is N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is UZPCWSNWMYAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2FNO/c1-14-3-4-15(2)21(9-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-5-7-19(25)8-6-16/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 493.21 g/mol, XLogP of 7.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 126127146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).