N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine

C16H13BrF3N — CID 155490362

IUPACN-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine
SMILESCc1ccc(/C(=N/c2ccc(Br)cc2C)C(F)(F)F)cc1
InChIInChI=1S/C16H13BrF3N/c1-10-3-5-12(6-4-10)15(16(18,19)20)21-14-8-7-13(17)9-11(14)2/h3-9H,1-2H3/b21-15-
InChIKeyUTZANJYPCDELPZ-QNGOZBTKSA-N
MW356.19 g/mol
LogP5.75
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine

N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine (PubChem CID 155490362) has the molecular formula C16H13BrF3N and a molecular weight of 356.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine
PubChem CID155490362
Molecular FormulaC16H13BrF3N
Molecular Weight356.19 g/mol
Exact Mass355.02
IUPAC NameN-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine
SMILESCc1ccc(/C(=N/c2ccc(Br)cc2C)C(F)(F)F)cc1
InChIInChI=1S/C16H13BrF3N/c1-10-3-5-12(6-4-10)15(16(18,19)20)21-14-8-7-13(17)9-11(14)2/h3-9H,1-2H3/b21-15-
InChIKeyUTZANJYPCDELPZ-QNGOZBTKSA-N
XLogP5.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.19
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-Amino-5-bromophenyl)(phenyl)methanone hydrazone
CID 5378323
p-Methylbenzylidene-(4-bromophenyl)-amine
CID 525717
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
CID 2797496
2-Amino-5-bromobenzophenone hydrazone
CID 625740
N-(1-(4-Ethylphenyl)ethylidene)-2-(trifluoromethyl)aniline
CID 45051342
1-(3-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 164678040
1-(2-bromophenyl)-N-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]methanimine
CID 164678041
N-[5-bromo-2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]-1-phenylmethanimine
CID 164678045
6-Bromo-3-phenyl-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643139
6-Bromo-3-(p-tolyl)-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643142
6-Bromo-3-(4-(tert-butyl)phenyl)-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643143
3-([1,1'-Biphenyl]-4-yl)-6-bromo-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643146

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine (CID 155490362) is N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine is Cc1ccc(/C(=N/c2ccc(Br)cc2C)C(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine?
The InChIKey is UTZANJYPCDELPZ-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H13BrF3N/c1-10-3-5-12(6-4-10)15(16(18,19)20)21-14-8-7-13(17)9-11(14)2/h3-9H,1-2H3/b21-15-.
What are the key properties of N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine?
N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine has a molecular weight of 356.19 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 155490362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).