N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline

C15H11Br2F3N2 — CID 71145987

IUPACN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
SMILESCc1c(Br)cc(/C=N\Nc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C15H11Br2F3N2/c1-9-12(16)6-10(7-13(9)17)8-21-22-14-5-3-2-4-11(14)15(18,19)20/h2-8,22H,1H3/b21-8-
InChIKeyHXEXREQYAGOYKM-WNFQYIGGSA-N
MW436.07 g/mol
LogP5.98
Rot. Bonds3

About N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline

N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline (PubChem CID 71145987) has the molecular formula C15H11Br2F3N2 and a molecular weight of 436.07 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
PubChem CID71145987
Molecular FormulaC15H11Br2F3N2
Molecular Weight436.07 g/mol
Exact Mass433.92
IUPAC NameN-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
SMILESCc1c(Br)cc(/C=N\Nc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C15H11Br2F3N2/c1-9-12(16)6-10(7-13(9)17)8-21-22-14-5-3-2-4-11(14)15(18,19)20/h2-8,22H,1H3/b21-8-
InChIKeyHXEXREQYAGOYKM-WNFQYIGGSA-N
XLogP5.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.07
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 6187772
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
1-[(Z)-benzylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 7934396
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]-2-(trifluoromethyl)aniline
CID 9211579

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline (CID 71145987) is N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline is Cc1c(Br)cc(/C=N\Nc2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline?
The InChIKey is HXEXREQYAGOYKM-WNFQYIGGSA-N. The full InChI is InChI=1S/C15H11Br2F3N2/c1-9-12(16)6-10(7-13(9)17)8-21-22-14-5-3-2-4-11(14)15(18,19)20/h2-8,22H,1H3/b21-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline?
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline has a molecular weight of 436.07 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 71145987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).