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

C22H20Br2ClNO — CID 126142554

IUPACN-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20Br2ClNO/c1-14-6-7-15(2)21(8-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-4-3-5-19(25)9-16/h3-11,26H,12-13H2,1-2H3
InChIKeySWFFEWNAIIFMNL-UHFFFAOYSA-N
MW509.67 g/mol
LogP7.67
Rot. Bonds6

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

N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (PubChem CID 126142554) has the molecular formula C22H20Br2ClNO and a molecular weight of 509.67 g/mol. Its IUPAC name is N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
PubChem CID126142554
Molecular FormulaC22H20Br2ClNO
Molecular Weight509.67 g/mol
Exact Mass506.96
IUPAC NameN-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20Br2ClNO/c1-14-6-7-15(2)21(8-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-4-3-5-19(25)9-16/h3-11,26H,12-13H2,1-2H3
InChIKeySWFFEWNAIIFMNL-UHFFFAOYSA-N
XLogP7.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127146
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-chloro-2-methylaniline
CID 126116027
N-[[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126118815
5-chloro-N-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126120798
N-[[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126123365
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
N-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126126336

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The IUPAC name of N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline (CID 126142554) is N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2cc(Br)cc(Br)c2OCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
The InChIKey is SWFFEWNAIIFMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2ClNO/c1-14-6-7-15(2)21(8-14)26-12-17-10-18(23)11-20(24)22(17)27-13-16-4-3-5-19(25)9-16/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline?
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline has a molecular weight of 509.67 g/mol, XLogP of 7.67, 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-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline is sourced from PubChem (CID 126142554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).