N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline

C22H19BrCl2N2O — CID 110841024

IUPACN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C22H19BrCl2N2O/c1-14-3-6-19(9-15(14)2)27-26-12-17-11-18(23)5-8-22(17)28-13-16-4-7-20(24)21(25)10-16/h3-12,27H,13H2,1-2H3
InChIKeyUBBHUUDCYIUSIX-UHFFFAOYSA-N
MW478.22 g/mol
LogP7.40
Rot. Bonds6

About N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline

N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline (PubChem CID 110841024) has the molecular formula C22H19BrCl2N2O and a molecular weight of 478.22 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
PubChem CID110841024
Molecular FormulaC22H19BrCl2N2O
Molecular Weight478.22 g/mol
Exact Mass476.01
IUPAC NameN-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCc1ccc(NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C22H19BrCl2N2O/c1-14-3-6-19(9-15(14)2)27-26-12-17-11-18(23)5-8-22(17)28-13-16-4-7-20(24)21(25)10-16/h3-12,27H,13H2,1-2H3
InChIKeyUBBHUUDCYIUSIX-UHFFFAOYSA-N
XLogP7.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.22
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5029518
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128810
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
5-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 5193899

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline (CID 110841024) is N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline is Cc1ccc(NN=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
The InChIKey is UBBHUUDCYIUSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrCl2N2O/c1-14-3-6-19(9-15(14)2)27-26-12-17-11-18(23)5-8-22(17)28-13-16-4-7-20(24)21(25)10-16/h3-12,27H,13H2,1-2H3.
What are the key properties of N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline?
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline has a molecular weight of 478.22 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110841024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).