N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline

C15H12F4N2 — CID 169383558

IUPACN-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESCc1cc(C=NNc2ccccc2)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2/c1-10-7-11(14(16)13(8-10)15(17,18)19)9-20-21-12-5-3-2-4-6-12/h2-9,21H,1H3
InChIKeyWHRNUIRGSCQMGM-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.60
Rot. Bonds3

About N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline

N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline (PubChem CID 169383558) has the molecular formula C15H12F4N2 and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
PubChem CID169383558
Molecular FormulaC15H12F4N2
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC NameN-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline
SMILESCc1cc(C=NNc2ccccc2)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2/c1-10-7-11(14(16)13(8-10)15(17,18)19)9-20-21-12-5-3-2-4-6-12/h2-9,21H,1H3
InChIKeyWHRNUIRGSCQMGM-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.60
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-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(2,4-difluoro-3-methylphenyl)methylideneamino]aniline
CID 169381777
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
2,3,5,6-tetrafluoro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 6291151
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline (CID 169383558) is N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline is Cc1cc(C=NNc2ccccc2)c(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
The InChIKey is WHRNUIRGSCQMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2/c1-10-7-11(14(16)13(8-10)15(17,18)19)9-20-21-12-5-3-2-4-6-12/h2-9,21H,1H3.
What are the key properties of N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline?
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline has a molecular weight of 296.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).